data_wubin0112b1-5h
_audit_creation_date               2022-10-29
_audit_creation_method
;
Olex2 1.3-ac4
(compiled 2019.04.23 svn.r3594 for Rigaku Oxford Diffraction, GUI svn.r5739)
;
_shelx_SHELXL_version_number       '2017/1'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety          
 '0.5(C4 La1.8 Nd0.48 O16 Pb1.32 Pr0.32 Sr0.08)'
_chemical_formula_sum              'C2 La0.90 Nd0.24 O8 Pb0.66 Pr0.16 Sr0.04'
_chemical_formula_weight           474.45
_chemical_melting_point            ?
_chemical_oxdiff_formula           'Pb1 La1 C1 O1 H1'
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'La' 'La' -1.4094 9.0376
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Nd' 'Nd' -3.1807 10.9079
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Pb' 'Pb' -4.0753 8.5060
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Pr' 'Pr' -2.4164 10.2820
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Sr' 'Sr' -0.3528 1.8200
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system        'orthorhombic'
_space_group_IT_number             62
_space_group_name_H-M_alt          'P m c n'
_space_group_name_Hall             '-P 2n 2a'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 'x+1/2, -y, -z'
 '-x+1/2, -y+1/2, z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'
 '-x-1/2, y, z'
 'x-1/2, y-1/2, -z-1/2'

_cell_length_a                     5.0655(2)
_cell_length_b                     8.5990(3)
_cell_length_c                     7.3901(4)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       321.90(2)
_cell_formula_units_Z              2
_cell_measurement_reflns_used      1079
_cell_measurement_temperature      296.15
_cell_measurement_theta_max        74.5070
_cell_measurement_theta_min        7.9230
_shelx_estimated_absorpt_T_max     0.034
_shelx_estimated_absorpt_T_min     0.034
_exptl_absorpt_coefficient_mu      103.159
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.14830
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.96a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              white
_exptl_crystal_density_diffrn      4.895
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         granular
_exptl_crystal_F_000               414
_exptl_crystal_size_max            0.01
_exptl_crystal_size_mid            0.008
_exptl_crystal_size_min            0.006
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0511
_diffrn_reflns_av_unetI/netI       0.0354
_diffrn_reflns_Laue_measured_fraction_full  0.994
_diffrn_reflns_Laue_measured_fraction_max  0.990
_diffrn_reflns_limit_h_max         6
_diffrn_reflns_limit_h_min         -6
_diffrn_reflns_limit_k_max         8
_diffrn_reflns_limit_k_min         -10
_diffrn_reflns_limit_l_max         9
_diffrn_reflns_limit_l_min         -9
_diffrn_reflns_number              2007
_diffrn_reflns_point_group_measured_fraction_full  0.994
_diffrn_reflns_point_group_measured_fraction_max  0.990
_diffrn_reflns_theta_full          67.684
_diffrn_reflns_theta_max           77.109
_diffrn_reflns_theta_min           7.906
_diffrn_ambient_temperature        296.15
_diffrn_detector                   'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean   10.0000
_diffrn_detector_type              HyPix
_diffrn_measured_fraction_theta_full  0.994
_diffrn_measured_fraction_theta_max  0.990
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω     -8.00  80.00   0.50    2.00    --   47.45 -98.00 -59.00  176
  2  ω     35.00  71.00   0.50   12.00    --  107.75 -61.00   0.00   72
  3  ω     35.00  71.00   0.50   12.00    --  107.75 -61.00  30.00   72
  4  ω     35.00  71.00   0.50   12.00    --  107.75 -61.00  60.00   72
  5  ω     94.00 178.00   0.50   12.00    --  107.75  15.00 -30.00  168
  6  ω    103.00 178.00   0.50   12.00    --  107.75  98.00  47.00  150
  7  ω     95.00 178.00   0.50   12.00    --  107.75  42.00-166.00  166
  8  ω     35.00 109.00   0.50   12.00    --  107.75 -94.00-150.00  148
  9  ω     35.00 117.00   0.50   12.00    --  107.75-125.00 -90.00  164
 10  ω     35.00 106.00   0.50   12.00    --  107.75 -77.00 -90.00  142
 11  ω     35.00  71.00   0.50   12.00    --  107.75 -61.00 -90.00   72
 12  ω    -25.00  47.00   0.50    2.00    --   47.45 -42.00  41.00  144
 13  ω    -26.00  28.00   0.50    2.00    --  -47.45  19.00  60.00  108
 14  ω   -120.00 -58.00   0.50    2.00    --  -47.45 -57.00  60.00  124
 15  ω   -159.00 -76.00   0.50   12.00    --  -86.25 -90.00-162.00  166
;
_diffrn_measurement_device         'four-circle diffractometer'
_diffrn_measurement_device_type    'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method         'ω scans'
_diffrn_orient_matrix_type        
 'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11        0.2860365000
_diffrn_orient_matrix_UB_12        -0.0444981000
_diffrn_orient_matrix_UB_13        0.0494326000
_diffrn_orient_matrix_UB_21        -0.0301586000
_diffrn_orient_matrix_UB_22        0.0836751000
_diffrn_orient_matrix_UB_23        0.1834389000
_diffrn_orient_matrix_UB_31        -0.1002908000
_diffrn_orient_matrix_UB_32        -0.1522208000
_diffrn_orient_matrix_UB_33        0.0863936000
_diffrn_radiation_monochromator    mirror
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             'Cu K\a'
_diffrn_radiation_wavelength       1.54184
_diffrn_source                     'micro-focus sealed X-ray tube'
_diffrn_source_type                'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  360
_reflns_number_total               379
_reflns_odcompleteness_completeness  100.00
_reflns_odcompleteness_iscentric   1
_reflns_odcompleteness_theta       74.33
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         'CrysAlisPro 1.171.41.96a (Rigaku OD, 2021)'
_computing_data_collection         'CrysAlisPro 1.171.41.96a (Rigaku OD, 2021)'
_computing_data_reduction          'CrysAlisPro 1.171.41.96a (Rigaku OD, 2021)'
_computing_molecular_graphics      'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement    'ShelXL (Sheldrick, 2015)'
_computing_structure_solution      'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max           1.442
_refine_diff_density_min           -1.445
_refine_diff_density_rms           0.313
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.094
_refine_ls_hydrogen_treatment      undef
_refine_ls_matrix_type             full
_refine_ls_number_parameters       34
_refine_ls_number_reflns           379
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0352
_refine_ls_R_factor_gt             0.0321
_refine_ls_restrained_S_all        1.094
_refine_ls_shift/su_max            0.000
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0361P)²+6.1405P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.0778
_refine_ls_wR_factor_ref           0.0792
_refine_special_details            ?
_olex2_refinement_description
;
1. Shared sites
{La1, Pb1, Nd1, Pr1, Sr1}
2. Uiso/Uaniso restraints and constraints
Uanis(La1) = Uanis(Pb1) = Uanis(Nd1) = Uanis(Pr1) = Uanis(Sr1)
3. Others
 Fixed Sof: La1(0.225) Pb1(0.165) Nd1(0.06) Pr1(0.04) Sr1(0.01)
;
_atom_sites_solution_hydrogens     .
_atom_sites_solution_primary       dual
_atom_sites_solution_secondary     ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 La1 La 0.750000 0.66131(7) 0.84875(8) 0.0176(3) Uani 0.45 2 d S T P A 14
 O3 O 0.750000 0.5905(12) 0.5277(14) 0.032(2) Uani 1 2 d S T P . .
 O2 O 0.4703(13) 0.8781(7) 0.6476(9) 0.0197(13) Uani 1 1 d . . . . .
 O1 O 0.250000 0.6825(11) 0.7738(16) 0.027(2) Uani 1 2 d S T P . .
 C1 C 0.250000 0.8090(13) 0.6873(16) 0.009(2) Uani 1 2 d S T P A .
 Pb1 Pb 0.750000 0.66131(7) 0.84875(8) 0.0176(3) Uani 0.33 2 d S T P A 15
 Nd1 Nd 0.750000 0.66131(7) 0.84875(8) 0.0176(3) Uani 0.12 2 d S T P A 16
 Pr1 Pr 0.750000 0.66131(7) 0.84875(8) 0.0176(3) Uani 0.08 2 d S T P A 17
 Sr1 Sr 0.750000 0.66131(7) 0.84875(8) 0.0176(3) Uani 0.02 2 d S T P A 18


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 La1 O3 2.450(10) . ?
 La1 O3 2.511(11) 6_576 ?
 La1 O2 2.679(7) 8_657 ?
 La1 O2 2.679(7) 2_646 ?
 La1 O2 2.646(7) 6_576 ?
 La1 O2 2.646(7) 4_665 ?
 La1 O1 2.599(3) 1_655 ?
 La1 O1 2.599(3) . ?
 O3 Pb1 2.450(10) . ?
 O3 Nd1 2.450(10) . ?
 O3 Pr1 2.450(10) . ?
 O3 Sr1 2.450(10) . ?
 O2 C1 1.298(9) . ?
 O2 Nd1 2.774(7) . ?
 O2 Pr1 2.774(7) . ?
 O2 Sr1 2.774(7) . ?
 O1 C1 1.262(15) . ?
 O1 Pb1 2.599(3) . ?
 O1 Nd1 2.599(3) . ?
 O1 Pr1 2.599(3) . ?
 O1 Sr1 2.599(3) . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 O3 La1 O3 136.2(3) . 6_576 ?
 O3 La1 O2 77.5(3) . 2_646 ?
 O3 La1 O2 77.5(3) . 8_657 ?
 O3 La1 O2 140.9(2) . 4_665 ?
 O3 La1 O2 140.1(2) 6_576 2_646 ?
 O3 La1 O2 70.7(2) 6_576 4_665 ?
 O3 La1 O2 140.1(2) 6_576 8_657 ?
 O3 La1 O2 140.9(2) . 6_576 ?
 O3 La1 O2 70.7(2) 6_576 6_576 ?
 O3 La1 O1 93.0(2) 6_576 1_655 ?
 O3 La1 O1 79.1(3) . 1_655 ?
 O3 La1 O1 79.1(3) . . ?
 O3 La1 O1 93.0(2) 6_576 . ?
 O2 La1 O2 49.2(3) 2_646 8_657 ?
 O2 La1 O2 69.6(2) 6_576 2_646 ?
 O2 La1 O2 95.63(15) 6_576 8_657 ?
 O2 La1 O2 95.63(15) 4_665 2_646 ?
 O2 La1 O2 69.6(2) 4_665 8_657 ?
 O2 La1 O2 64.8(3) 4_665 6_576 ?
 O1 La1 O2 135.1(3) . 4_665 ?
 O1 La1 O2 70.1(2) 1_655 8_657 ?
 O1 La1 O2 70.1(2) . 2_646 ?
 O1 La1 O2 70.4(3) . 6_576 ?
 O1 La1 O2 70.4(3) 1_655 4_665 ?
 O1 La1 O2 135.1(3) 1_655 6_576 ?
 O1 La1 O2 118.2(3) 1_655 2_646 ?
 O1 La1 O2 118.2(3) . 8_657 ?
 O1 La1 O1 154.1(5) . 1_655 ?
 La1 O2 La1 144.9(3) 2_656 . ?
 La1 O2 La1 95.0(2) 6_575 . ?
 C1 O2 La1 90.6(5) . . ?
 C1 O2 La1 93.2(5) . 2_656 ?
 C1 O2 La1 126.2(6) . 6_575 ?
 C1 O2 Nd1 90.6(5) . . ?
 C1 O2 Pr1 90.6(5) . . ?
 C1 O2 Sr1 90.6(5) . . ?
 La1 O1 La1 154.1(5) 1_455 . ?
 C1 O1 La1 99.7(2) . 1_455 ?
 C1 O1 La1 99.7(2) . . ?
 C1 O1 Pb1 99.7(2) . . ?
 C1 O1 Nd1 99.7(2) . . ?
 C1 O1 Pr1 99.7(2) . . ?
 C1 O1 Sr1 99.7(2) . . ?
 O2 C1 O2 118.6(10) . 7_655 ?
 O1 C1 O2 120.6(5) . . ?
 O1 C1 O2 120.6(5) . 7_655 ?
 O3 Pb1 O3 136.2(3) . 6_576 ?
 O3 Pb1 O2 140.9(2) . 4_665 ?
 O3 Pb1 O2 140.1(2) 6_576 2_646 ?
 O3 Pb1 O2 140.1(2) 6_576 8_657 ?
 O3 Pb1 O2 70.7(2) 6_576 4_665 ?
 O3 Pb1 O2 77.5(3) . 8_657 ?
 O3 Pb1 O2 140.9(2) . 6_576 ?
 O3 Pb1 O2 70.7(2) 6_576 6_576 ?
 O3 Pb1 O2 77.5(3) . 2_646 ?
 O3 Pb1 O1 79.1(3) . . ?
 O3 Pb1 O1 79.1(3) . 1_655 ?
 O3 Pb1 O1 93.0(2) 6_576 1_655 ?
 O3 Pb1 O1 93.0(2) 6_576 . ?
 O2 Pb1 O2 49.2(3) 2_646 8_657 ?
 O2 Pb1 O2 69.6(2) 6_576 2_646 ?
 O2 Pb1 O2 95.63(15) 6_576 8_657 ?
 O2 Pb1 O2 95.63(15) 4_665 2_646 ?
 O2 Pb1 O2 69.6(2) 4_665 8_657 ?
 O2 Pb1 O2 64.8(3) 4_665 6_576 ?
 O1 Pb1 O2 135.1(3) . 4_665 ?
 O1 Pb1 O2 118.2(3) 1_655 2_646 ?
 O1 Pb1 O2 70.1(2) . 2_646 ?
 O1 Pb1 O2 70.4(3) . 6_576 ?
 O1 Pb1 O2 70.4(3) 1_655 4_665 ?
 O1 Pb1 O2 135.1(3) 1_655 6_576 ?
 O1 Pb1 O2 118.2(3) . 8_657 ?
 O1 Pb1 O2 70.1(2) 1_655 8_657 ?
 O1 Pb1 O1 154.1(5) . 1_655 ?
 O3 Nd1 O3 136.2(3) . 6_576 ?
 O3 Nd1 O2 73.2(2) 6_576 7_755 ?
 O3 Nd1 O2 77.5(3) . 8_657 ?
 O3 Nd1 O2 69.4(2) . . ?
 O3 Nd1 O2 70.7(2) 6_576 6_576 ?
 O3 Nd1 O2 140.1(2) 6_576 8_657 ?
 O3 Nd1 O2 77.5(3) . 2_646 ?
 O3 Nd1 O2 73.2(2) 6_576 . ?
 O3 Nd1 O2 140.1(2) 6_576 2_646 ?
 O3 Nd1 O2 69.4(2) . 7_755 ?
 O3 Nd1 O2 140.9(2) . 4_665 ?
 O3 Nd1 O2 140.9(2) . 6_576 ?
 O3 Nd1 O2 70.7(2) 6_576 4_665 ?
 O3 Nd1 O1 79.1(3) . 1_655 ?
 O3 Nd1 O1 93.0(2) 6_576 . ?
 O3 Nd1 O1 93.0(2) 6_576 1_655 ?
 O3 Nd1 O1 79.1(3) . . ?
 O3 Nd1 C1 153.2(3) 6_576 2_646 ?
 O3 Nd1 C1 70.6(3) . 2_646 ?
 O3 Nd1 C1 74.1(2) . 1_655 ?
 O3 Nd1 C1 81.6(2) 6_576 1_655 ?
 O2 Nd1 O2 105.1(2) 6_576 . ?
 O2 Nd1 O2 113.81(7) 8_657 7_755 ?
 O2 Nd1 O2 143.82(14) 4_665 . ?
 O2 Nd1 O2 113.81(7) 2_646 . ?
 O2 Nd1 O2 64.8(3) 4_665 6_576 ?
 O2 Nd1 O2 146.02(12) 8_657 . ?
 O2 Nd1 O2 146.02(12) 2_646 7_755 ?
 O2 Nd1 O2 95.63(15) 6_576 8_657 ?
 O2 Nd1 O2 61.4(3) . 7_755 ?
 O2 Nd1 O2 95.63(15) 4_665 2_646 ?
 O2 Nd1 O2 69.6(2) 4_665 8_657 ?
 O2 Nd1 O2 105.1(2) 4_665 7_755 ?
 O2 Nd1 O2 143.82(14) 6_576 7_755 ?
 O2 Nd1 O2 69.6(2) 6_576 2_646 ?
 O2 Nd1 O2 49.2(3) 2_646 8_657 ?
 O2 Nd1 C1 25.22(15) 2_646 2_646 ?
 O2 Nd1 C1 92.1(2) 8_657 1_655 ?
 O2 Nd1 C1 86.3(2) 4_665 1_655 ?
 O2 Nd1 C1 25.22(15) 8_657 2_646 ?
 O2 Nd1 C1 86.9(2) 6_576 2_646 ?
 O2 Nd1 C1 128.5(2) . 2_646 ?
 O2 Nd1 C1 144.9(3) 6_576 1_655 ?
 O2 Nd1 C1 128.5(2) 7_755 2_646 ?
 O2 Nd1 C1 86.3(2) . 1_655 ?
 O2 Nd1 C1 25.0(2) 7_755 1_655 ?
 O2 Nd1 C1 86.9(2) 4_665 2_646 ?
 O2 Nd1 C1 136.3(2) 2_646 1_655 ?
 O1 Nd1 O2 118.2(3) . 8_657 ?
 O1 Nd1 O2 48.8(3) . . ?
 O1 Nd1 O2 118.2(3) 1_655 2_646 ?
 O1 Nd1 O2 70.1(2) 1_655 8_657 ?
 O1 Nd1 O2 70.4(3) 1_655 4_665 ?
 O1 Nd1 O2 135.1(3) . 4_665 ?
 O1 Nd1 O2 135.1(3) 1_655 6_576 ?
 O1 Nd1 O2 70.1(2) . 2_646 ?
 O1 Nd1 O2 109.7(3) 1_655 . ?
 O1 Nd1 O2 109.7(3) . 7_755 ?
 O1 Nd1 O2 48.8(3) 1_655 7_755 ?
 O1 Nd1 O2 70.4(3) . 6_576 ?
 O1 Nd1 O1 154.1(5) . 1_655 ?
 O1 Nd1 C1 92.9(2) 1_655 2_646 ?
 O1 Nd1 C1 92.9(2) . 2_646 ?
 O1 Nd1 C1 133.7(3) . 1_655 ?
 O1 Nd1 C1 23.9(3) 1_655 1_655 ?
 C1 Nd1 C1 112.18(18) 2_646 1_655 ?
 O3 Pr1 O3 136.2(3) . 6_576 ?
 O3 Pr1 O2 73.2(2) 6_576 7_755 ?
 O3 Pr1 O2 140.1(2) 6_576 2_646 ?
 O3 Pr1 O2 140.9(2) . 4_665 ?
 O3 Pr1 O2 73.2(2) 6_576 . ?
 O3 Pr1 O2 140.1(2) 6_576 8_657 ?
 O3 Pr1 O2 77.5(3) . 8_657 ?
 O3 Pr1 O2 140.9(2) . 6_576 ?
 O3 Pr1 O2 69.4(2) . . ?
 O3 Pr1 O2 70.7(2) 6_576 4_665 ?
 O3 Pr1 O2 69.4(2) . 7_755 ?
 O3 Pr1 O2 77.5(3) . 2_646 ?
 O3 Pr1 O2 70.7(2) 6_576 6_576 ?
 O3 Pr1 O1 93.0(2) 6_576 . ?
 O3 Pr1 O1 93.0(2) 6_576 1_655 ?
 O3 Pr1 O1 79.1(3) . 1_655 ?
 O3 Pr1 O1 79.1(3) . . ?
 O3 Pr1 C1 153.2(3) 6_576 2_646 ?
 O3 Pr1 C1 70.6(3) . 2_646 ?
 O3 Pr1 C1 74.1(2) . 1_655 ?
 O3 Pr1 C1 81.6(2) 6_576 1_655 ?
 O2 Pr1 O2 69.6(2) 4_665 8_657 ?
 O2 Pr1 O2 105.1(2) 4_665 7_755 ?
 O2 Pr1 O2 69.6(2) 6_576 2_646 ?
 O2 Pr1 O2 95.63(15) 6_576 8_657 ?
 O2 Pr1 O2 146.02(12) 2_646 7_755 ?
 O2 Pr1 O2 49.2(3) 2_646 8_657 ?
 O2 Pr1 O2 64.8(3) 4_665 6_576 ?
 O2 Pr1 O2 143.82(14) 4_665 . ?
 O2 Pr1 O2 143.82(14) 6_576 7_755 ?
 O2 Pr1 O2 105.1(2) 6_576 . ?
 O2 Pr1 O2 113.81(7) 8_657 7_755 ?
 O2 Pr1 O2 113.81(7) 2_646 . ?
 O2 Pr1 O2 95.63(15) 4_665 2_646 ?
 O2 Pr1 O2 146.02(12) 8_657 . ?
 O2 Pr1 O2 61.4(3) . 7_755 ?
 O2 Pr1 C1 25.22(15) 8_657 2_646 ?
 O2 Pr1 C1 86.3(2) . 1_655 ?
 O2 Pr1 C1 136.3(2) 2_646 1_655 ?
 O2 Pr1 C1 128.5(2) . 2_646 ?
 O2 Pr1 C1 25.22(15) 2_646 2_646 ?
 O2 Pr1 C1 128.5(2) 7_755 2_646 ?
 O2 Pr1 C1 92.1(2) 8_657 1_655 ?
 O2 Pr1 C1 86.9(2) 4_665 2_646 ?
 O2 Pr1 C1 25.0(2) 7_755 1_655 ?
 O2 Pr1 C1 86.3(2) 4_665 1_655 ?
 O2 Pr1 C1 144.9(3) 6_576 1_655 ?
 O2 Pr1 C1 86.9(2) 6_576 2_646 ?
 O1 Pr1 O2 70.4(3) . 6_576 ?
 O1 Pr1 O2 118.2(3) . 8_657 ?
 O1 Pr1 O2 48.8(3) . . ?
 O1 Pr1 O2 135.1(3) 1_655 6_576 ?
 O1 Pr1 O2 70.1(2) . 2_646 ?
 O1 Pr1 O2 135.1(3) . 4_665 ?
 O1 Pr1 O2 109.7(3) 1_655 . ?
 O1 Pr1 O2 109.7(3) . 7_755 ?
 O1 Pr1 O2 70.1(2) 1_655 8_657 ?
 O1 Pr1 O2 48.8(3) 1_655 7_755 ?
 O1 Pr1 O2 118.2(3) 1_655 2_646 ?
 O1 Pr1 O2 70.4(3) 1_655 4_665 ?
 O1 Pr1 O1 154.1(5) . 1_655 ?
 O1 Pr1 C1 92.9(2) 1_655 2_646 ?
 O1 Pr1 C1 133.7(3) . 1_655 ?
 O1 Pr1 C1 23.9(3) 1_655 1_655 ?
 O1 Pr1 C1 92.9(2) . 2_646 ?
 C1 Pr1 C1 112.18(18) 2_646 1_655 ?
 O3 Sr1 O3 136.2(3) . 6_576 ?
 O3 Sr1 O2 140.1(2) 6_576 8_657 ?
 O3 Sr1 O2 140.9(2) . 4_665 ?
 O3 Sr1 O2 73.2(2) 6_576 . ?
 O3 Sr1 O2 70.7(2) 6_576 4_665 ?
 O3 Sr1 O2 77.5(3) . 8_657 ?
 O3 Sr1 O2 73.2(2) 6_576 7_755 ?
 O3 Sr1 O2 69.4(2) . . ?
 O3 Sr1 O2 70.7(2) 6_576 6_576 ?
 O3 Sr1 O2 69.4(2) . 7_755 ?
 O3 Sr1 O2 77.5(3) . 2_646 ?
 O3 Sr1 O2 140.1(2) 6_576 2_646 ?
 O3 Sr1 O2 140.9(2) . 6_576 ?
 O3 Sr1 O1 93.0(2) 6_576 1_655 ?
 O3 Sr1 O1 93.0(2) 6_576 . ?
 O3 Sr1 O1 79.1(3) . . ?
 O3 Sr1 O1 79.1(3) . 1_655 ?
 O3 Sr1 C1 74.1(2) . 1_655 ?
 O3 Sr1 C1 153.2(3) 6_576 2_646 ?
 O3 Sr1 C1 70.6(3) . 2_646 ?
 O3 Sr1 C1 81.6(2) 6_576 1_655 ?
 O2 Sr1 O2 143.82(14) 4_665 . ?
 O2 Sr1 O2 113.81(7) 8_657 7_755 ?
 O2 Sr1 O2 105.1(2) 4_665 7_755 ?
 O2 Sr1 O2 105.1(2) 6_576 . ?
 O2 Sr1 O2 95.63(15) 6_576 8_657 ?
 O2 Sr1 O2 61.4(3) . 7_755 ?
 O2 Sr1 O2 143.82(14) 6_576 7_755 ?
 O2 Sr1 O2 64.8(3) 4_665 6_576 ?
 O2 Sr1 O2 49.2(3) 2_646 8_657 ?
 O2 Sr1 O2 95.63(15) 4_665 2_646 ?
 O2 Sr1 O2 69.6(2) 6_576 2_646 ?
 O2 Sr1 O2 146.02(12) 8_657 . ?
 O2 Sr1 O2 69.6(2) 4_665 8_657 ?
 O2 Sr1 O2 113.81(7) 2_646 . ?
 O2 Sr1 O2 146.02(12) 2_646 7_755 ?
 O2 Sr1 C1 25.22(15) 2_646 2_646 ?
 O2 Sr1 C1 136.3(2) 2_646 1_655 ?
 O2 Sr1 C1 86.3(2) 4_665 1_655 ?
 O2 Sr1 C1 25.22(15) 8_657 2_646 ?
 O2 Sr1 C1 25.0(2) 7_755 1_655 ?
 O2 Sr1 C1 128.5(2) . 2_646 ?
 O2 Sr1 C1 144.9(3) 6_576 1_655 ?
 O2 Sr1 C1 128.5(2) 7_755 2_646 ?
 O2 Sr1 C1 92.1(2) 8_657 1_655 ?
 O2 Sr1 C1 86.3(2) . 1_655 ?
 O2 Sr1 C1 86.9(2) 4_665 2_646 ?
 O2 Sr1 C1 86.9(2) 6_576 2_646 ?
 O1 Sr1 O2 70.4(3) . 6_576 ?
 O1 Sr1 O2 118.2(3) 1_655 2_646 ?
 O1 Sr1 O2 135.1(3) 1_655 6_576 ?
 O1 Sr1 O2 70.4(3) 1_655 4_665 ?
 O1 Sr1 O2 109.7(3) . 7_755 ?
 O1 Sr1 O2 48.8(3) . . ?
 O1 Sr1 O2 70.1(2) . 2_646 ?
 O1 Sr1 O2 109.7(3) 1_655 . ?
 O1 Sr1 O2 135.1(3) . 4_665 ?
 O1 Sr1 O2 118.2(3) . 8_657 ?
 O1 Sr1 O2 70.1(2) 1_655 8_657 ?
 O1 Sr1 O2 48.8(3) 1_655 7_755 ?
 O1 Sr1 O1 154.1(5) . 1_655 ?
 O1 Sr1 C1 133.7(3) . 1_655 ?
 O1 Sr1 C1 23.9(3) 1_655 1_655 ?
 O1 Sr1 C1 92.9(2) . 2_646 ?
 O1 Sr1 C1 92.9(2) 1_655 2_646 ?
 C1 Sr1 C1 112.18(18) 2_646 1_655 ?

loop_
  _geom_torsion_atom_site_label_1
  _geom_torsion_atom_site_label_2
  _geom_torsion_atom_site_label_3
  _geom_torsion_atom_site_label_4
  _geom_torsion
  _geom_torsion_site_symmetry_1
  _geom_torsion_site_symmetry_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 La1 O2 C1 O2 -93.9(11) 6_575 . . 7_655 ?
 La1 O2 C1 O2 24.3(11) 2_656 . . 7_655 ?
 La1 O2 C1 O2 169.4(9) . . . 7_655 ?
 La1 O2 C1 O1 91.0(12) 6_575 . . . ?
 La1 O2 C1 O1 -5.7(11) . . . . ?
 La1 O2 C1 O1 -150.8(10) 2_656 . . . ?
 La1 O1 C1 O2 168.9(9) 1_455 . . . ?
 La1 O1 C1 O2 -168.9(9) . . . 7_655 ?
 La1 O1 C1 O2 6.1(12) . . . . ?
 La1 O1 C1 O2 -6.1(12) 1_455 . . 7_655 ?
 Pb1 O1 C1 O2 -168.9(9) . . . 7_655 ?
 Pb1 O1 C1 O2 6.1(12) . . . . ?
 Nd1 O2 C1 O2 169.4(9) . . . 7_655 ?
 Nd1 O2 C1 O1 -5.7(11) . . . . ?
 Nd1 O1 C1 O2 -168.9(9) . . . 7_655 ?
 Nd1 O1 C1 O2 6.1(12) . . . . ?
 Pr1 O2 C1 O2 169.4(9) . . . 7_655 ?
 Pr1 O2 C1 O1 -5.7(11) . . . . ?
 Pr1 O1 C1 O2 -168.9(9) . . . 7_655 ?
 Pr1 O1 C1 O2 6.1(12) . . . . ?
 Sr1 O2 C1 O2 169.4(9) . . . 7_655 ?
 Sr1 O2 C1 O1 -5.7(11) . . . . ?
 Sr1 O1 C1 O2 6.1(12) . . . . ?
 Sr1 O1 C1 O2 -168.9(9) . . . 7_655 ?

_olex2_submission_special_instructions  'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max  3.731
_oxdiff_exptl_absorpt_empirical_full_min  0.442
