# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_c2byc_a
_database_code_depnum_ccdc_archive 'CCDC 2115671'
loop_
_audit_author_name
_audit_author_address
'Yingjie Zhang'
;Australian Nuclear Science and Technology Organisation
Australia
;
_audit_update_record             
;
2021-10-14 deposited with the CCDC.	2021-12-15 downloaded from the CCDC.
;
_audit_creation_date             2021-08-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'O21 Sr U5.5'
_chemical_formula_sum            'O21 Sr U5.50'
_chemical_formula_weight         1732.79
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sr Sr -1.5307 3.2498 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 '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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   13.289(3)
_cell_length_b                   10.170(2)
_cell_length_c                   26.139(5)
_cell_angle_alpha                90
_cell_angle_beta                 103.04(3)
_cell_angle_gamma                90
_cell_volume                     3441.5(13)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    16000
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.993
_cell_measurement_theta_min      1.600
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    54.751
_exptl_absorpt_correction_T_max  0.4343
_exptl_absorpt_correction_T_min  0.2295
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.2047 before and 0.0814 after correction.
The Ratio of minimum to maximum transmission is 0.5284.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    6.689
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             5696
_exptl_crystal_size_max          0.015
_exptl_crystal_size_mid          0.010
_exptl_crystal_size_min          0.005
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0704
_diffrn_reflns_av_unetI/netI     0.0492
_diffrn_reflns_Laue_measured_fraction_full 0.974
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            19460
_diffrn_reflns_point_group_measured_fraction_full 0.974
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_theta_full        24.993
_diffrn_reflns_theta_max         24.993
_diffrn_reflns_theta_min         1.600
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_radiation_type           
'silicon double crystal monochromated synchrotron'
_diffrn_source                   'Australian Synchrotron MX2'
_diffrn_measurement_device_type  'Eiger Detector'
_diffrn_measurement_method       'π  scans'
_diffrn_radiation_wavelength     0.71099
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2738
_reflns_number_total             2931
_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_data_collection       'BlueIce (McPhillips, et al., 2002)'
_computing_cell_refinement       'XDS (Kabsch, 1993)'
_computing_data_reduction        'XDS (Kabsch, 1993)'
_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         3.749
_refine_diff_density_min         -2.753
_refine_diff_density_rms         0.495
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     249
_refine_ls_number_reflns         2931
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0361
_refine_ls_R_factor_gt           0.0347
_refine_ls_restrained_S_all      1.079
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0564P)²+9.4959P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0916
_refine_ls_wR_factor_ref         0.0931
_refine_special_details          ?
_olex2_refinement_description    
;
;
_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
U1 U 0.49212(3) 0.33804(4) 0.46952(2) 0.02158(15) Uani 1 1 d . . . . .
U2 U 0.76564(3) 0.42146(4) 0.52776(2) 0.01867(15) Uani 1 1 d . . . . .
U3 U 0.78995(3) 0.72354(4) 0.64428(2) 0.01730(14) Uani 1 1 d . . . . .
U4 U 0.55431(3) 0.94956(4) 0.64263(2) 0.01922(15) Uani 1 1 d . . . . .
U5 U 0.76636(3) 0.90702(4) 0.76566(2) 0.02011(15) Uani 1 1 d . . . . .
U6 U 1.0000 0.63701(5) 0.7500 0.01649(16) Uani 1 2 d S T P . .
Sr1 Sr 0.32810(8) 0.63278(11) 0.62665(5) 0.0243(3) Uani 1 1 d . . . . .
O1 O 0.4727(7) 0.2479(9) 0.5273(4) 0.033(2) Uani 1 1 d . . . . .
O2 O 0.5045(6) 0.4164(8) 0.4078(3) 0.0287(19) Uani 1 1 d . . . . .
O3 O 0.3995(6) 0.5067(8) 0.4842(3) 0.0240(18) Uani 1 1 d . . . . .
O4 O 0.3691(6) 0.1974(8) 0.4159(3) 0.0273(18) Uani 1 1 d . . . . .
O5 O 0.6522(6) 0.2737(8) 0.4763(4) 0.0271(19) Uani 1 1 d . . . . .
O6 O 0.7498(6) 0.3540(8) 0.5894(3) 0.029(2) Uani 1 1 d . . . . .
O7 O 0.7828(6) 0.4865(9) 0.4652(3) 0.0265(18) Uani 1 1 d . . . . .
O8 O 0.7894(7) 0.6371(8) 0.5636(4) 0.033(2) Uani 1 1 d . . . . .
O9 O 0.7362(6) 0.5714(8) 0.6640(3) 0.0256(19) Uani 1 1 d . . . . .
O10 O 0.8463(6) 0.8746(8) 0.6263(3) 0.0233(17) Uani 1 1 d . . . . .
O11 O 0.4665(6) 0.8229(8) 0.6517(3) 0.0258(19) Uani 1 1 d . . . . .
O12 O 0.6394(6) 1.0755(8) 0.6292(3) 0.0243(18) Uani 1 1 d . . . . .
O13 O 0.4500(6) 0.9629(10) 0.5593(4) 0.038(2) Uani 1 1 d . . . . .
O14 O 0.6892(6) 0.8302(8) 0.6864(3) 0.0241(17) Uani 1 1 d . . . . .
O15 O 0.7115(6) 0.7824(8) 0.7993(3) 0.0262(18) Uani 1 1 d . . . . .
O16 O 0.8236(7) 1.0330(8) 0.7343(4) 0.037(2) Uani 1 1 d . . . . .
O17 O 0.9171(7) 0.8678(9) 0.8426(4) 0.036(2) Uani 1 1 d . . . . .
O18 O 0.9512(6) 0.6199(8) 0.6665(3) 0.0224(17) Uani 1 1 d . . . . .
O19 O 0.8972(6) 0.4985(8) 0.7648(3) 0.0213(17) Uani 1 1 d . . . . .
O20 O 1.1220(6) 0.7676(7) 0.7655(3) 0.0236(17) Uani 1 1 d . . . . .
O21 O 0.4928(14) 0.5863(17) 0.6976(8) 0.110(6) Uani 1 1 d . . . . .


_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
U1 U1 3.6445(10) 5_666 ?
U1 U2 3.7085(12) . ?
U1 U4 4.0882(9) 5_666 ?
U1 Sr1 3.8503(15) 5_666 ?
U1 O1 1.834(9) . ?
U1 O2 1.840(9) . ?
U1 O3 2.290(8) 5_666 ?
U1 O3 2.196(8) . ?
U1 O4 2.378(8) . ?
U1 O5 2.195(8) . ?
U2 U2 3.7643(10) 7_656 ?
U2 Sr1 3.8757(14) 3_545 ?
U2 Sr1 3.9848(16) 5_666 ?
U2 O3 2.266(8) 5_666 ?
U2 O5 2.279(8) 7_656 ?
U2 O5 2.329(8) . ?
U2 O6 1.805(9) . ?
U2 O7 1.826(9) . ?
U2 O8 2.378(8) . ?
U2 O13 2.439(8) 3_545 ?
U3 U4 3.8769(8) . ?
U3 U5 3.7545(8) . ?
U3 U6 3.5669(13) . ?
U3 Sr1 4.2304(14) 3 ?
U3 O4 2.467(8) 5_666 ?
U3 O8 2.282(9) . ?
U3 O9 1.827(8) . ?
U3 O10 1.817(8) . ?
U3 O14 2.202(8) . ?
U3 O18 2.340(8) . ?
U3 O20 2.425(8) 2_756 ?
U4 U1 4.0882(9) 5_666 ?
U4 U5 3.7924(14) . ?
U4 U6 3.5980(8) 3_455 ?
U4 Sr1 4.1916(13) 3 ?
U4 O4 2.512(8) 5_666 ?
U4 O11 1.790(8) . ?
U4 O12 1.795(8) . ?
U4 O13 2.308(9) . ?
U4 O14 2.252(8) . ?
U4 O18 2.378(8) 3_455 ?
U4 O19 2.410(8) 4_656 ?
U5 Sr1 4.3441(14) 2_656 ?
U5 O9 2.490(8) 4_656 ?
U5 O14 2.234(8) . ?
U5 O15 1.790(8) . ?
U5 O16 1.782(9) . ?
U5 O17 2.530(9) . ?
U5 O19 2.333(7) 4_656 ?
U5 O20 2.329(8) 2_756 ?
U6 U3 3.5670(13) 2_756 ?
U6 U4 3.5979(8) 4_646 ?
U6 U4 3.5979(8) 3_545 ?
U6 O18 2.140(8) 2_756 ?
U6 O18 2.140(8) . ?
U6 O19 2.060(7) 2_756 ?
U6 O19 2.060(7) . ?
U6 O20 2.064(8) . ?
U6 O20 2.064(8) 2_756 ?
Sr1 U1 3.8504(15) 5_666 ?
Sr1 U2 3.8757(14) 3_455 ?
Sr1 O2 2.629(9) 5_666 ?
Sr1 O5 2.922(9) 5_666 ?
Sr1 O6 2.576(8) 3_455 ?
Sr1 O7 2.794(8) 5_666 ?
Sr1 O10 2.637(8) 3_445 ?
Sr1 O11 2.647(8) . ?
Sr1 O12 2.590(7) 3_445 ?
Sr1 O15 2.606(8) 2_656 ?
Sr1 O16 3.004(10) 3_445 ?
Sr1 O21 2.574(18) . ?
O2 Sr1 2.629(9) 5_666 ?
O3 U1 2.290(8) 5_666 ?
O3 U2 2.266(7) 5_666 ?
O4 U3 2.467(8) 5_666 ?
O4 U4 2.512(8) 5_666 ?
O5 U2 2.279(8) 7_656 ?
O5 Sr1 2.922(9) 5_666 ?
O6 Sr1 2.576(8) 3_545 ?
O7 Sr1 2.794(8) 5_666 ?
O9 U5 2.490(8) 4_646 ?
O10 Sr1 2.637(8) 3 ?
O12 Sr1 2.590(7) 3 ?
O13 U2 2.439(8) 3_455 ?
O15 Sr1 2.606(8) 2_656 ?
O16 Sr1 3.004(10) 3 ?
O18 U4 2.378(8) 3_545 ?
O19 U4 2.410(8) 4_646 ?
O19 U5 2.333(7) 4_646 ?
O20 U3 2.425(8) 2_756 ?
O20 U5 2.329(8) 2_756 ?

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
U1 U1 U2 70.089(17) 5_666 . ?
U1 U1 U4 160.84(2) 5_666 5_666 ?
U1 U1 Sr1 103.46(2) 5_666 5_666 ?
U2 U1 U4 115.69(2) . 5_666 ?
U2 U1 Sr1 63.60(3) . 5_666 ?
Sr1 U1 U4 66.58(2) 5_666 5_666 ?
O1 U1 U1 95.5(3) . 5_666 ?
O1 U1 U2 94.8(3) . . ?
O1 U1 U4 101.9(3) . 5_666 ?
O1 U1 Sr1 143.1(3) . 5_666 ?
O1 U1 O2 174.7(4) . . ?
O1 U1 O3 93.3(4) . . ?
O1 U1 O3 95.7(3) . 5_666 ?
O1 U1 O4 88.8(4) . . ?
O1 U1 O5 95.6(4) . . ?
O2 U1 U1 89.1(3) . 5_666 ?
O2 U1 U2 89.3(3) . . ?
O2 U1 U4 73.1(3) . 5_666 ?
O2 U1 Sr1 37.1(3) . 5_666 ?
O2 U1 O3 88.8(3) . . ?
O2 U1 O3 89.7(3) . 5_666 ?
O2 U1 O4 85.9(3) . . ?
O2 U1 O5 85.6(4) . . ?
O3 U1 U1 36.5(2) . 5_666 ?
O3 U1 U1 34.80(19) 5_666 5_666 ?
O3 U1 U2 106.6(2) . . ?
O3 U1 U2 35.30(19) 5_666 . ?
O3 U1 U4 133.2(2) . 5_666 ?
O3 U1 U4 147.88(19) 5_666 5_666 ?
O3 U1 Sr1 120.6(2) . 5_666 ?
O3 U1 Sr1 83.2(2) 5_666 5_666 ?
O3 U1 O3 71.3(3) . 5_666 ?
O3 U1 O4 103.6(3) . . ?
O3 U1 O4 173.4(3) 5_666 . ?
O4 U1 U1 139.98(19) . 5_666 ?
O4 U1 U2 149.29(19) . . ?
O4 U1 U4 34.31(18) . 5_666 ?
O4 U1 Sr1 96.12(19) . 5_666 ?
O5 U1 U1 106.0(2) . 5_666 ?
O5 U1 U2 36.1(2) . . ?
O5 U1 U4 80.3(2) . 5_666 ?
O5 U1 Sr1 48.9(2) . 5_666 ?
O5 U1 O3 142.2(3) . . ?
O5 U1 O3 71.3(3) . 5_666 ?
O5 U1 O4 113.2(3) . . ?
U1 U2 U2 67.482(16) . 7_656 ?
U1 U2 Sr1 98.23(3) . 3_545 ?
U1 U2 Sr1 59.94(3) . 5_666 ?
U2 U2 Sr1 62.86(3) 7_656 3_545 ?
U2 U2 Sr1 59.94(2) 7_656 5_666 ?
Sr1 U2 Sr1 122.80(2) 3_545 5_666 ?
O3 U2 U1 35.7(2) 5_666 . ?
O3 U2 U2 103.1(2) 5_666 7_656 ?
O3 U2 Sr1 80.4(2) 5_666 5_666 ?
O3 U2 Sr1 113.0(2) 5_666 3_545 ?
O3 U2 O5 69.4(3) 5_666 . ?
O3 U2 O5 137.2(3) 5_666 7_656 ?
O3 U2 O8 78.2(3) 5_666 . ?
O3 U2 O13 149.2(3) 5_666 3_545 ?
O5 U2 U1 102.5(2) 7_656 . ?
O5 U2 U1 33.76(19) . . ?
O5 U2 U2 35.7(2) 7_656 7_656 ?
O5 U2 U2 34.79(19) . 7_656 ?
O5 U2 Sr1 84.8(2) . 3_545 ?
O5 U2 Sr1 46.5(2) . 5_666 ?
O5 U2 Sr1 48.6(2) 7_656 3_545 ?
O5 U2 Sr1 82.9(2) 7_656 5_666 ?
O5 U2 O5 70.5(3) 7_656 . ?
O5 U2 O8 143.1(3) 7_656 . ?
O5 U2 O8 146.5(3) . . ?
O5 U2 O13 140.9(3) . 3_545 ?
O5 U2 O13 73.2(3) 7_656 3_545 ?
O6 U2 U1 88.8(3) . . ?
O6 U2 U2 88.1(3) . 7_656 ?
O6 U2 Sr1 33.7(3) . 3_545 ?
O6 U2 Sr1 141.1(3) . 5_666 ?
O6 U2 O3 86.7(3) . 5_666 ?
O6 U2 O5 94.5(4) . . ?
O6 U2 O5 82.2(3) . 7_656 ?
O6 U2 O7 178.8(4) . . ?
O6 U2 O8 91.8(4) . . ?
O6 U2 O13 94.3(4) . 3_545 ?
O7 U2 U1 91.4(2) . . ?
O7 U2 U2 90.9(3) . 7_656 ?
O7 U2 Sr1 145.2(3) . 3_545 ?
O7 U2 Sr1 38.4(3) . 5_666 ?
O7 U2 O3 94.1(3) . 5_666 ?
O7 U2 O5 96.6(3) . 7_656 ?
O7 U2 O5 84.9(3) . . ?
O7 U2 O8 89.2(4) . . ?
O7 U2 O13 85.5(3) . 3_545 ?
O8 U2 U1 113.8(2) . . ?
O8 U2 U2 178.7(2) . 7_656 ?
O8 U2 Sr1 116.5(2) . 3_545 ?
O8 U2 Sr1 120.7(2) . 5_666 ?
O8 U2 O13 71.0(3) . 3_545 ?
O13 U2 U1 174.3(2) 3_545 . ?
O13 U2 U2 107.8(3) 3_545 7_656 ?
O13 U2 Sr1 81.8(2) 3_545 3_545 ?
O13 U2 Sr1 115.3(2) 3_545 5_666 ?
U4 U3 Sr1 62.084(19) . 3 ?
U5 U3 U4 59.57(3) . . ?
U5 U3 Sr1 68.78(2) . 3 ?
U6 U3 U4 130.079(19) . . ?
U6 U3 U5 70.60(2) . . ?
U6 U3 Sr1 103.59(2) . 3 ?
O4 U3 U4 39.27(18) 5_666 . ?
O4 U3 U5 98.84(18) 5_666 . ?
O4 U3 U6 169.22(18) 5_666 . ?
O4 U3 Sr1 73.52(19) 5_666 3 ?
O8 U3 U4 112.6(2) . . ?
O8 U3 U5 171.3(2) . . ?
O8 U3 U6 117.4(2) . . ?
O8 U3 Sr1 104.7(2) . 3 ?
O8 U3 O4 73.3(3) . 5_666 ?
O8 U3 O18 82.4(3) . . ?
O8 U3 O20 150.4(3) . 2_756 ?
O9 U3 U4 98.0(3) . . ?
O9 U3 U5 94.0(3) . . ?
O9 U3 U6 81.9(3) . . ?
O9 U3 Sr1 158.2(3) . 3 ?
O9 U3 O4 97.1(3) . 5_666 ?
O9 U3 O8 90.8(3) . . ?
O9 U3 O14 87.5(3) . . ?
O9 U3 O18 86.7(3) . . ?
O9 U3 O20 90.9(3) . 2_756 ?
O10 U3 U4 82.8(2) . . ?
O10 U3 U5 85.2(3) . . ?
O10 U3 U6 96.5(2) . . ?
O10 U3 Sr1 22.1(3) . 3 ?
O10 U3 O4 84.4(3) . 5_666 ?
O10 U3 O8 90.1(3) . . ?
O10 U3 O9 178.4(4) . . ?
O10 U3 O14 92.6(3) . . ?
O10 U3 O18 92.1(3) . . ?
O10 U3 O20 87.6(3) . 2_756 ?
O14 U3 U4 29.9(2) . . ?
O14 U3 U5 32.4(2) . . ?
O14 U3 U6 101.0(2) . . ?
O14 U3 Sr1 70.8(2) . 3 ?
O14 U3 O4 68.2(3) . 5_666 ?
O14 U3 O8 140.9(3) . . ?
O14 U3 O18 136.4(3) . . ?
O14 U3 O20 68.7(3) . 2_756 ?
O18 U3 U4 164.10(19) . . ?
O18 U3 U5 105.10(19) . . ?
O18 U3 U6 35.33(19) . . ?
O18 U3 Sr1 110.2(2) . 3 ?
O18 U3 O4 155.5(3) . 5_666 ?
O18 U3 O20 68.2(3) . 2_756 ?
O20 U3 U4 96.48(19) 2_756 . ?
O20 U3 U5 36.95(19) 2_756 . ?
O20 U3 U6 33.99(19) 2_756 . ?
O20 U3 Sr1 83.14(18) 2_756 3 ?
O20 U3 O4 135.7(3) 2_756 5_666 ?
U1 U4 Sr1 103.92(3) 5_666 3 ?
U3 U4 U1 64.83(2) . 5_666 ?
U3 U4 Sr1 63.10(2) . 3 ?
U5 U4 U1 119.31(2) . 5_666 ?
U5 U4 U3 58.609(19) . . ?
U5 U4 Sr1 68.87(3) . 3 ?
U6 U4 U1 156.064(15) 3_455 5_666 ?
U6 U4 U3 127.53(2) 3_455 . ?
U6 U4 U5 68.925(17) 3_455 . ?
U6 U4 Sr1 100.00(3) 3_455 3 ?
O4 U4 U1 32.25(19) 5_666 5_666 ?
O4 U4 U3 38.45(19) 5_666 . ?
O4 U4 U5 97.05(19) 5_666 . ?
O4 U4 U6 165.97(19) 5_666 3_455 ?
O4 U4 Sr1 73.96(19) 5_666 3 ?
O11 U4 U1 65.4(3) . 5_666 ?
O11 U4 U3 97.0(3) . . ?
O11 U4 U5 100.8(3) . . ?
O11 U4 U6 91.5(3) . 3_455 ?
O11 U4 Sr1 160.0(3) . 3 ?
O11 U4 O4 91.1(3) . 5_666 ?
O11 U4 O12 176.4(4) . . ?
O11 U4 O13 84.1(4) . . ?
O11 U4 O14 90.7(3) . . ?
O11 U4 O18 93.3(3) . 3_455 ?
O11 U4 O19 92.9(3) . 4_656 ?
O12 U4 U1 111.7(3) . 5_666 ?
O12 U4 U3 83.2(2) . . ?
O12 U4 U5 82.4(3) . . ?
O12 U4 U6 91.2(3) . 3_455 ?
O12 U4 Sr1 20.6(2) . 3 ?
O12 U4 O4 86.9(3) . 5_666 ?
O12 U4 O13 92.5(4) . . ?
O12 U4 O14 91.1(3) . . ?
O12 U4 O18 87.6(3) . 3_455 ?
O12 U4 O19 90.7(3) . 4_656 ?
O13 U4 U1 53.4(3) . 5_666 ?
O13 U4 U3 110.9(2) . . ?
O13 U4 U5 168.7(2) . . ?
O13 U4 U6 121.5(3) . 3_455 ?
O13 U4 Sr1 103.3(2) . 3 ?
O13 U4 O4 72.5(3) . 5_666 ?
O13 U4 O18 86.9(3) . 3_455 ?
O13 U4 O19 154.6(3) . 4_656 ?
O14 U4 U1 87.3(2) . 5_666 ?
O14 U4 U3 29.1(2) . . ?
O14 U4 U5 32.2(2) . . ?
O14 U4 U6 99.5(2) . 3_455 ?
O14 U4 Sr1 71.4(2) . 3 ?
O14 U4 O4 66.6(3) . 5_666 ?
O14 U4 O13 138.7(3) . . ?
O14 U4 O18 134.4(3) . 3_455 ?
O14 U4 O19 66.4(3) . 4_656 ?
O18 U4 U1 134.96(19) 3_455 5_666 ?
O18 U4 U3 160.21(19) 3_455 . ?
O18 U4 U5 102.87(19) 3_455 . ?
O18 U4 U6 34.97(19) 3_455 3_455 ?
O18 U4 Sr1 105.5(2) 3_455 3 ?
O18 U4 O4 158.4(3) 3_455 5_666 ?
O18 U4 O19 68.0(3) 3_455 4_656 ?
O19 U4 U1 146.12(18) 4_656 5_666 ?
O19 U4 U3 94.51(17) 4_656 . ?
O19 U4 U5 36.21(17) 4_656 . ?
O19 U4 U6 33.20(17) 4_656 3_455 ?
O19 U4 Sr1 88.07(19) 4_656 3 ?
O19 U4 O4 132.9(3) 4_656 5_666 ?
U3 U5 U4 61.820(18) . . ?
U3 U5 Sr1 108.66(2) . 2_656 ?
U4 U5 Sr1 110.77(2) . 2_656 ?
O9 U5 U3 167.17(19) 4_656 . ?
O9 U5 U4 114.71(19) 4_656 . ?
O9 U5 Sr1 84.17(19) 4_656 2_656 ?
O9 U5 O17 70.1(3) 4_656 . ?
O14 U5 U3 31.92(19) . . ?
O14 U5 U4 32.4(2) . . ?
O14 U5 Sr1 103.7(2) . 2_656 ?
O14 U5 O9 147.0(3) . 4_656 ?
O14 U5 O17 142.9(3) . . ?
O14 U5 O19 68.0(3) . 4_656 ?
O14 U5 O20 70.0(3) . 2_756 ?
O15 U5 U3 100.6(3) . . ?
O15 U5 U4 101.0(3) . . ?
O15 U5 Sr1 10.7(3) . 2_656 ?
O15 U5 O9 92.1(3) . 4_656 ?
O15 U5 O14 93.2(3) . . ?
O15 U5 O17 80.5(3) . . ?
O15 U5 O19 89.9(3) . 4_656 ?
O15 U5 O20 96.0(3) . 2_756 ?
O16 U5 U3 80.9(3) . . ?
O16 U5 U4 80.8(3) . . ?
O16 U5 Sr1 167.4(3) . 2_656 ?
O16 U5 O9 86.3(4) . 4_656 ?
O16 U5 O14 88.8(4) . . ?
O16 U5 O15 178.0(4) . . ?
O16 U5 O17 97.8(4) . . ?
O16 U5 O19 91.0(3) . 4_656 ?
O16 U5 O20 84.5(4) . 2_756 ?
O17 U5 U3 113.1(2) . . ?
O17 U5 U4 174.8(2) . . ?
O17 U5 Sr1 71.1(2) . 2_656 ?
O19 U5 U3 99.1(2) 4_656 . ?
O19 U5 U4 37.6(2) 4_656 . ?
O19 U5 Sr1 95.4(2) 4_656 2_656 ?
O19 U5 O9 79.5(3) 4_656 4_656 ?
O19 U5 O17 147.6(3) 4_656 . ?
O20 U5 U3 38.8(2) 2_756 . ?
O20 U5 U4 100.5(2) 2_756 . ?
O20 U5 Sr1 97.8(2) 2_756 2_656 ?
O20 U5 O9 141.5(3) 2_756 4_656 ?
O20 U5 O17 74.3(3) 2_756 . ?
O20 U5 O19 137.8(3) 2_756 4_656 ?
U3 U6 U3 151.44(2) . 2_756 ?
U3 U6 U4 118.386(17) 2_756 3_545 ?
U3 U6 U4 118.387(17) . 4_646 ?
U3 U6 U4 77.643(19) 2_756 4_646 ?
U3 U6 U4 77.64(2) . 3_545 ?
U4 U6 U4 116.01(3) 3_545 4_646 ?
O18 U6 U3 144.6(2) . 2_756 ?
O18 U6 U3 144.6(2) 2_756 . ?
O18 U6 U3 39.2(2) . . ?
O18 U6 U3 39.2(2) 2_756 2_756 ?
O18 U6 U4 133.2(2) 2_756 3_545 ?
O18 U6 U4 39.6(2) 2_756 4_646 ?
O18 U6 U4 39.6(2) . 3_545 ?
O18 U6 U4 133.2(2) . 4_646 ?
O18 U6 O18 170.7(4) 2_756 . ?
O19 U6 U3 117.3(2) . 2_756 ?
O19 U6 U3 83.0(2) 2_756 2_756 ?
O19 U6 U3 83.0(2) . . ?
O19 U6 U3 117.3(2) 2_756 . ?
O19 U6 U4 39.9(2) 2_756 3_545 ?
O19 U6 U4 92.5(2) 2_756 4_646 ?
O19 U6 U4 92.5(2) . 3_545 ?
O19 U6 U4 39.9(2) . 4_646 ?
O19 U6 O18 94.3(3) . . ?
O19 U6 O18 79.3(3) . 2_756 ?
O19 U6 O18 94.3(3) 2_756 2_756 ?
O19 U6 O18 79.3(3) 2_756 . ?
O19 U6 O19 93.7(4) 2_756 . ?
O19 U6 O20 158.1(3) 2_756 2_756 ?
O19 U6 O20 87.3(3) . 2_756 ?
O19 U6 O20 87.3(3) 2_756 . ?
O19 U6 O20 158.1(3) . . ?
O20 U6 U3 41.1(2) 2_756 . ?
O20 U6 U3 115.9(2) . . ?
O20 U6 U3 115.9(2) 2_756 2_756 ?
O20 U6 U3 41.1(2) . 2_756 ?
O20 U6 U4 102.0(2) . 3_545 ?
O20 U6 U4 118.3(2) . 4_646 ?
O20 U6 U4 102.0(2) 2_756 4_646 ?
O20 U6 U4 118.3(2) 2_756 3_545 ?
O20 U6 O18 78.9(3) 2_756 . ?
O20 U6 O18 78.9(3) . 2_756 ?
O20 U6 O18 107.3(3) . . ?
O20 U6 O18 107.3(3) 2_756 2_756 ?
O20 U6 O20 99.9(4) 2_756 . ?
U1 Sr1 U2 64.99(2) 5_666 3_455 ?
O2 Sr1 U1 24.99(19) 5_666 5_666 ?
O2 Sr1 U2 89.22(19) 5_666 3_455 ?
O2 Sr1 O5 59.2(2) 5_666 5_666 ?
O2 Sr1 O7 86.9(3) 5_666 5_666 ?
O2 Sr1 O10 74.0(3) 5_666 3_445 ?
O2 Sr1 O11 68.3(3) 5_666 . ?
O2 Sr1 O16 117.0(3) 5_666 3_445 ?
O5 Sr1 U1 34.48(15) 5_666 5_666 ?
O5 Sr1 U2 35.82(15) 5_666 3_455 ?
O5 Sr1 O16 176.1(2) 5_666 3_445 ?
O6 Sr1 U1 86.7(2) 3_455 5_666 ?
O6 Sr1 U2 22.9(2) 3_455 3_455 ?
O6 Sr1 O2 109.7(3) 3_455 5_666 ?
O6 Sr1 O5 58.6(2) 3_455 5_666 ?
O6 Sr1 O7 88.0(3) 3_455 5_666 ?
O6 Sr1 O10 153.9(3) 3_455 3_445 ?
O6 Sr1 O11 69.8(3) 3_455 . ?
O6 Sr1 O12 84.0(3) 3_455 3_445 ?
O6 Sr1 O15 68.9(3) 3_455 2_656 ?
O6 Sr1 O16 123.9(3) 3_455 3_445 ?
O7 Sr1 U1 75.96(17) 5_666 5_666 ?
O7 Sr1 U2 76.35(18) 5_666 3_455 ?
O7 Sr1 O5 59.3(2) 5_666 5_666 ?
O7 Sr1 O16 122.7(3) 5_666 3_445 ?
O10 Sr1 U1 90.19(17) 3_445 5_666 ?
O10 Sr1 U2 139.27(18) 3_445 3_455 ?
O10 Sr1 O5 107.1(2) 3_445 5_666 ?
O10 Sr1 O7 66.1(3) 3_445 5_666 ?
O10 Sr1 O11 132.0(2) 3_445 . ?
O10 Sr1 O16 71.8(3) 3_445 3_445 ?
O11 Sr1 U1 66.84(18) . 5_666 ?
O11 Sr1 U2 69.16(19) . 3_455 ?
O11 Sr1 O5 77.8(2) . 5_666 ?
O11 Sr1 O7 137.1(3) . 5_666 ?
O11 Sr1 O16 100.0(3) . 3_445 ?
O12 Sr1 U1 141.35(19) 3_445 5_666 ?
O12 Sr1 U2 97.15(18) 3_445 3_455 ?
O12 Sr1 O2 149.9(3) 3_445 5_666 ?
O12 Sr1 O5 112.7(2) 3_445 5_666 ?
O12 Sr1 O7 66.3(3) 3_445 5_666 ?
O12 Sr1 O10 82.3(3) 3_445 3_445 ?
O12 Sr1 O11 141.3(2) 3_445 . ?
O12 Sr1 O15 75.7(3) 3_445 2_656 ?
O12 Sr1 O16 71.1(3) 3_445 3_445 ?
O15 Sr1 U1 134.31(18) 2_656 5_666 ?
O15 Sr1 U2 90.24(18) 2_656 3_455 ?
O15 Sr1 O2 133.9(3) 2_656 5_666 ?
O15 Sr1 O5 124.7(2) 2_656 5_666 ?
O15 Sr1 O7 137.3(2) 2_656 5_666 ?
O15 Sr1 O10 128.2(3) 2_656 3_445 ?
O15 Sr1 O11 68.6(3) 2_656 . ?
O15 Sr1 O16 56.8(2) 2_656 3_445 ?
O16 Sr1 U1 141.62(17) 3_445 5_666 ?
O16 Sr1 U2 146.50(17) 3_445 3_455 ?
O21 Sr1 U1 86.1(4) . 5_666 ?
O21 Sr1 U2 129.7(4) . 3_455 ?
O21 Sr1 O2 64.1(5) . 5_666 ?
O21 Sr1 O5 119.0(5) . 5_666 ?
O21 Sr1 O6 129.7(4) . 3_455 ?
O21 Sr1 O7 137.5(4) . 5_666 ?
O21 Sr1 O10 75.9(4) . 3_445 ?
O21 Sr1 O11 61.6(4) . . ?
O21 Sr1 O12 127.7(5) . 3_445 ?
O21 Sr1 O15 81.6(5) . 2_656 ?
O21 Sr1 O16 57.1(5) . 3_445 ?
U1 O2 Sr1 117.9(4) . 5_666 ?
U1 O3 U1 108.7(3) . 5_666 ?
U1 O3 U2 142.3(4) . 5_666 ?
U2 O3 U1 109.0(3) 5_666 5_666 ?
U1 O4 U3 123.8(3) . 5_666 ?
U1 O4 U4 113.4(3) . 5_666 ?
U3 O4 U4 102.3(3) 5_666 5_666 ?
U1 O5 U2 136.2(4) . 7_656 ?
U1 O5 U2 110.1(3) . . ?
U1 O5 Sr1 96.6(3) . 5_666 ?
U2 O5 U2 109.5(3) 7_656 . ?
U2 O5 Sr1 95.6(3) 7_656 5_666 ?
U2 O5 Sr1 98.1(3) . 5_666 ?
U2 O6 Sr1 123.4(4) . 3_545 ?
U2 O7 Sr1 117.7(4) . 5_666 ?
U3 O8 U2 133.8(4) . . ?
U3 O9 U5 148.0(4) . 4_646 ?
U3 O10 Sr1 142.9(4) . 3 ?
U4 O11 Sr1 158.5(4) . . ?
U4 O12 Sr1 145.3(4) . 3 ?
U4 O13 U2 130.7(4) . 3_455 ?
U3 O14 U4 121.0(4) . . ?
U3 O14 U5 115.6(3) . . ?
U5 O14 U4 115.4(3) . . ?
U5 O15 Sr1 162.0(4) . 2_656 ?
U5 O16 Sr1 140.8(5) . 3 ?
U3 O18 U4 144.4(4) . 3_545 ?
U6 O18 U3 105.4(3) . . ?
U6 O18 U4 105.5(3) . 3_545 ?
U5 O19 U4 106.2(3) 4_646 4_646 ?
U6 O19 U4 106.9(3) . 4_646 ?
U6 O19 U5 144.6(4) . 4_646 ?
U5 O20 U3 104.3(3) 2_756 2_756 ?
U6 O20 U3 104.9(3) . 2_756 ?
U6 O20 U5 149.0(4) . 2_756 ?

_olex2_submission_special_instructions 'No special instructions were received'

# start Validation Reply Form
_vrf_PLAT973_c2byc_a             
;
PROBLEM: Check Calcd Positive Resid. Density on        U3       3.85 eA-3  
RESPONSE: The alert arises due to the ineffective absorption corrections.
;
_vrf_PLAT306_c2byc_a             
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O21 Check 
RESPONSE: The alert arises due to no reliable H atoms could be located.
;
_vrf_PLAT971_c2byc_a             
;
PROBLEM: Check Calcd Resid. Dens.  0.32A   From U2              3.38 eA-3  
RESPONSE: The alert arises due to the ineffective absorption corrections.
;
_vrf_PLAT972_c2byc_a             
;
PROBLEM: Check Calcd Resid. Dens.  0.89A   From U5             -2.81 eA-3  
RESPONSE: The alert arises due to the ineffective absorption corrections.
;
_vrf_PLAT975_c2byc_a             
;
PROBLEM: Check Calcd Resid. Dens.  0.85A   From O5              1.78 eA-3  
RESPONSE: The alert arises due to the ineffective absorption corrections.
;
# end Validation Reply Form
