# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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. 
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data_mo_cbjKCd613_0m
_database_code_depnum_ccdc_archive 'CCDC 2218961'
loop_
_audit_author_name
_audit_author_address
'Ying Wang'
;College of Chemistry and Environmental Science, Hebei University
China
;
_audit_update_record             
;
2022-11-11 deposited with the CCDC.	2022-12-23 downloaded from the CCDC.
;
_audit_creation_method           
;
FinalCif V89 by Daniel Kratzert, Freiburg 2022,
https://dkratzert.de/finalcif.html
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'Cd6 K O24 P7'
_chemical_formula_moiety         ?
_chemical_formula_weight         1314.29
_chemical_melting_point          ?
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_H-M_alt        'P 21/m'
_space_group_name_Hall           '-P 2yb'
_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'

_cell_length_a                   5.4887(4)
_cell_length_b                   27.154(2)
_cell_length_c                   6.7732(5)
_cell_angle_alpha                90
_cell_angle_beta                 107.148(3)
_cell_angle_gamma                90
_cell_volume                     964.61(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    9882
_cell_measurement_theta_min      3.0005
_cell_measurement_theta_max      27.4885
_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_recrystallization_method ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    4.525
_exptl_crystal_F_000             1208
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    7.419
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6389
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction:
Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48
(2015) 3-10
;
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      273(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'mirror optics'
_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
_diffrn_measurement_ambient_temperature_device_make ?
_diffrn_radiation_probe          x-ray
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_source_current           1.4
_diffrn_detector                 CPAD
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_detector_area_resol_mean 7.41
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_reflns_number            33675
_diffrn_reflns_av_unetI/netI     0.0164
_diffrn_reflns_av_R_equivalents  0.0439
_diffrn_reflns_theta_min         3.001
_diffrn_reflns_theta_max         27.508
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_limit_l_max       8
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             2257
_reflns_number_gt                2117
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_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.
;
_computing_data_collection       'Bruker BIS V6.2.14/2020-04-30'
_computing_cell_refinement       'SAINT V8.40B'
_computing_data_reduction        'SAINT V8.40B'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+16.6372P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_number_reflns         2257
_refine_ls_number_parameters     178
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0367
_refine_ls_R_factor_gt           0.0330
_refine_ls_wR_factor_ref         0.0691
_refine_ls_wR_factor_gt          0.0677
_refine_ls_goodness_of_fit_ref   1.268
_refine_ls_restrained_S_all      1.268
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.314
_refine_diff_density_min         -1.218
_refine_diff_density_rms         0.220
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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_
_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
K1 K -0.2872(5) 0.750000 0.6375(4) 0.0305(6) Uani 1 2 d S T P . .
Cd1 Cd 0.78510(9) 0.59894(2) 0.92042(8) 0.01331(12) Uani 1 1 d . . . . .
Cd2 Cd 0.10837(9) 0.68303(2) 0.29369(8) 0.01347(12) Uani 1 1 d . . . . .
Cd3 Cd 0.81775(9) 0.45666(2) 0.31354(8) 0.01439(12) Uani 1 1 d . . . . .
P1 P 0.5288(5) 0.750000 1.1047(4) 0.0111(4) Uani 1 2 d S T P . .
P2 P 0.2444(3) 0.66975(6) 0.8217(3) 0.0106(3) Uani 1 1 d . . . . .
P3 P 0.6724(3) 0.60852(6) 0.3919(3) 0.0114(3) Uani 1 1 d . . . . .
P4 P 0.2912(3) 0.52498(6) 0.2086(3) 0.0105(3) Uani 1 1 d . . . . .
O1 O 0.8089(13) 0.750000 1.2250(10) 0.0134(13) Uani 1 2 d S T P . .
O2 O 0.3465(13) 0.750000 1.2328(11) 0.0133(13) Uani 1 2 d S T P . .
O3 O 0.4847(9) 0.70402(18) 0.9569(8) 0.0169(10) Uani 1 1 d . . . . .
O4 O 0.0564(9) 0.66773(18) 0.9487(8) 0.0168(10) Uani 1 1 d . . . . .
O5 O 0.1368(10) 0.69681(19) 0.6209(8) 0.0197(11) Uani 1 1 d . . . . .
O6 O 0.3760(9) 0.62188(17) 0.8076(8) 0.0149(10) Uani 1 1 d . . . . .
O7 O 0.8492(9) 0.59547(18) 0.6057(7) 0.0156(10) Uani 1 1 d . . . . .
O8 O 0.4817(11) 0.6469(2) 0.3987(9) 0.0276(13) Uani 1 1 d . . . . .
O9 O 0.8263(9) 0.62111(19) 0.2435(8) 0.0172(10) Uani 1 1 d . . . . .
O10 O 0.5385(10) 0.5574(2) 0.3063(9) 0.0257(12) Uani 1 1 d . . . . .
O11 O 0.1376(9) 0.52085(18) 0.3616(7) 0.0162(10) Uani 1 1 d . . . . .
O12 O 0.1375(9) 0.54878(18) 0.0103(7) 0.0139(9) Uani 1 1 d . . . . .
O13 O 0.4089(9) 0.47602(17) 0.1753(8) 0.0156(10) Uani 1 1 d . . . . .


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
K1 O5 2.769(6) . ?
K1 O5 2.769(6) 4_575 ?
K1 O2 2.882(8) 1_454 ?
K1 O1 2.992(7) 1_454 ?
K1 O3 3.066(5) 4_475 ?
K1 O3 3.066(5) 1_455 ?
K1 O4 3.263(6) . ?
K1 O4 3.263(6) 4_575 ?
K1 O8 3.295(6) 1_455 ?
K1 O8 3.295(6) 4_475 ?
K1 P1 3.449(4) 1_454 ?
K1 P2 3.560(3) . ?
Cd1 O9 2.216(5) 1_556 ?
Cd1 O6 2.237(5) . ?
Cd1 O7 2.263(5) . ?
Cd1 O12 2.296(5) 1_656 ?
Cd1 O13 2.300(5) 3_666 ?
Cd1 O4 2.361(5) 1_655 ?
Cd1 Cd3 3.4028(7) 3_766 ?
Cd1 Cd2 3.4797(7) 1_656 ?
Cd2 O8 2.193(5) . ?
Cd2 O5 2.208(5) . ?
Cd2 O9 2.243(5) 1_455 ?
Cd2 O4 2.307(5) 1_554 ?
Cd2 O2 2.346(4) 1_554 ?
Cd2 O1 2.403(4) 1_454 ?
Cd3 O13 2.225(5) . ?
Cd3 O11 2.226(5) 3_666 ?
Cd3 O7 2.248(5) 3_766 ?
Cd3 O12 2.283(5) 3_665 ?
Cd3 O6 2.416(5) 3_666 ?
Cd3 O11 2.427(5) 1_655 ?
P1 O2 1.505(7) . ?
P1 O1 1.513(7) . ?
P1 O3 1.574(5) . ?
P1 O3 1.574(5) 4_575 ?
P2 O6 1.504(5) . ?
P2 O5 1.505(5) . ?
P2 O4 1.527(5) . ?
P2 O3 1.653(5) . ?
P3 O8 1.487(5) . ?
P3 O7 1.528(5) . ?
P3 O9 1.530(5) . ?
P3 O10 1.596(5) . ?
P4 O12 1.505(5) . ?
P4 O11 1.520(5) . ?
P4 O13 1.524(5) . ?
P4 O10 1.590(5) . ?

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
O5 K1 O5 62.9(2) . 4_575 ?
O5 K1 O2 108.68(17) . 1_454 ?
O5 K1 O2 108.68(17) 4_575 1_454 ?
O5 K1 O1 65.20(15) . 1_454 ?
O5 K1 O1 65.20(15) 4_575 1_454 ?
O2 K1 O1 51.49(18) 1_454 1_454 ?
O5 K1 O3 139.80(17) . 4_475 ?
O5 K1 O3 109.81(15) 4_575 4_475 ?
O2 K1 O3 110.83(17) 1_454 4_475 ?
O1 K1 O3 151.61(12) 1_454 4_475 ?
O5 K1 O3 109.81(15) . 1_455 ?
O5 K1 O3 139.80(17) 4_575 1_455 ?
O2 K1 O3 110.83(17) 1_454 1_455 ?
O1 K1 O3 151.61(13) 1_454 1_455 ?
O3 K1 O3 48.06(18) 4_475 1_455 ?
O5 K1 O4 48.43(13) . . ?
O5 K1 O4 92.91(16) 4_575 . ?
O2 K1 O4 136.28(10) 1_454 . ?
O1 K1 O4 112.07(13) 1_454 . ?
O3 K1 O4 95.83(14) 4_475 . ?
O3 K1 O4 62.86(13) 1_455 . ?
O5 K1 O4 92.91(16) . 4_575 ?
O5 K1 O4 48.43(13) 4_575 4_575 ?
O2 K1 O4 136.28(9) 1_454 4_575 ?
O1 K1 O4 112.07(13) 1_454 4_575 ?
O3 K1 O4 62.86(13) 4_475 4_575 ?
O3 K1 O4 95.83(14) 1_455 4_575 ?
O4 K1 O4 86.42(19) . 4_575 ?
O5 K1 O8 75.12(15) . 1_455 ?
O5 K1 O8 129.04(16) 4_575 1_455 ?
O2 K1 O8 58.23(10) 1_454 1_455 ?
O1 K1 O8 71.93(12) 1_454 1_455 ?
O3 K1 O8 120.95(16) 4_475 1_455 ?
O3 K1 O8 79.75(14) 1_455 1_455 ?
O4 K1 O8 78.51(13) . 1_455 ?
O4 K1 O8 164.69(14) 4_575 1_455 ?
O5 K1 O8 129.04(16) . 4_475 ?
O5 K1 O8 75.12(15) 4_575 4_475 ?
O2 K1 O8 58.23(10) 1_454 4_475 ?
O1 K1 O8 71.93(12) 1_454 4_475 ?
O3 K1 O8 79.75(14) 4_475 4_475 ?
O3 K1 O8 120.95(15) 1_455 4_475 ?
O4 K1 O8 164.69(15) . 4_475 ?
O4 K1 O8 78.51(13) 4_575 4_475 ?
O8 K1 O8 116.4(2) 1_455 4_475 ?
O5 K1 P1 87.01(12) . 1_454 ?
O5 K1 P1 87.01(12) 4_575 1_454 ?
O2 K1 P1 25.55(13) 1_454 1_454 ?
O1 K1 P1 25.94(13) 1_454 1_454 ?
O3 K1 P1 133.13(12) 4_475 1_454 ?
O3 K1 P1 133.13(13) 1_455 1_454 ?
O4 K1 P1 127.67(10) . 1_454 ?
O4 K1 P1 127.67(10) 4_575 1_454 ?
O8 K1 P1 62.27(11) 1_455 1_454 ?
O8 K1 P1 62.27(11) 4_475 1_454 ?
O5 K1 P2 23.53(11) . . ?
O5 K1 P2 73.85(13) 4_575 . ?
O2 K1 P2 127.09(10) 1_454 . ?
O1 K1 P2 88.59(12) 1_454 . ?
O3 K1 P2 117.71(12) 4_475 . ?
O3 K1 P2 88.07(11) 1_455 . ?
O4 K1 P2 25.38(9) . . ?
O4 K1 P2 86.26(11) 4_575 . ?
O8 K1 P2 78.98(10) 1_455 . ?
O8 K1 P2 148.15(12) 4_475 . ?
P1 K1 P2 108.88(7) 1_454 . ?
O9 Cd1 O6 93.53(18) 1_556 . ?
O9 Cd1 O7 160.53(19) 1_556 . ?
O6 Cd1 O7 96.26(18) . . ?
O9 Cd1 O12 93.82(18) 1_556 1_656 ?
O6 Cd1 O12 159.74(17) . 1_656 ?
O7 Cd1 O12 82.66(17) . 1_656 ?
O9 Cd1 O13 115.01(18) 1_556 3_666 ?
O6 Cd1 O13 79.36(17) . 3_666 ?
O7 Cd1 O13 83.41(18) . 3_666 ?
O12 Cd1 O13 80.42(17) 1_656 3_666 ?
O9 Cd1 O4 80.02(17) 1_556 1_655 ?
O6 Cd1 O4 110.68(17) . 1_655 ?
O7 Cd1 O4 80.79(18) . 1_655 ?
O12 Cd1 O4 89.19(18) 1_656 1_655 ?
O13 Cd1 O4 162.07(17) 3_666 1_655 ?
O9 Cd1 Cd3 133.44(13) 1_556 3_766 ?
O6 Cd1 Cd3 132.91(13) . 3_766 ?
O7 Cd1 Cd3 40.87(12) . 3_766 ?
O12 Cd1 Cd3 41.85(11) 1_656 3_766 ?
O13 Cd1 Cd3 77.46(12) 3_666 3_766 ?
O4 Cd1 Cd3 85.04(12) 1_655 3_766 ?
O9 Cd1 Cd2 38.98(13) 1_556 1_656 ?
O6 Cd1 Cd2 108.12(12) . 1_656 ?
O7 Cd1 Cd2 121.61(13) . 1_656 ?
O12 Cd1 Cd2 89.28(12) 1_656 1_656 ?
O13 Cd1 Cd2 151.65(13) 3_666 1_656 ?
O4 Cd1 Cd2 41.20(12) 1_655 1_656 ?
Cd3 Cd1 Cd2 111.718(18) 3_766 1_656 ?
O8 Cd2 O5 88.1(2) . . ?
O8 Cd2 O9 104.5(2) . 1_455 ?
O5 Cd2 O9 96.91(19) . 1_455 ?
O8 Cd2 O4 94.16(19) . 1_554 ?
O5 Cd2 O4 177.01(19) . 1_554 ?
O9 Cd2 O4 80.67(17) 1_455 1_554 ?
O8 Cd2 O2 83.6(2) . 1_554 ?
O5 Cd2 O2 99.6(2) . 1_554 ?
O9 Cd2 O2 161.8(2) 1_455 1_554 ?
O4 Cd2 O2 82.6(2) 1_554 1_554 ?
O8 Cd2 O1 157.2(2) . 1_454 ?
O5 Cd2 O1 84.7(2) . 1_454 ?
O9 Cd2 O1 97.80(18) 1_455 1_454 ?
O4 Cd2 O1 93.9(2) 1_554 1_454 ?
O2 Cd2 O1 76.37(19) 1_554 1_454 ?
O8 Cd2 Cd1 99.76(16) . 1_454 ?
O5 Cd2 Cd1 135.28(14) . 1_454 ?
O9 Cd2 Cd1 38.43(13) 1_455 1_454 ?
O4 Cd2 Cd1 42.40(12) 1_554 1_454 ?
O2 Cd2 Cd1 124.90(16) 1_554 1_454 ?
O1 Cd2 Cd1 100.53(13) 1_454 1_454 ?
O8 Cd2 K1 57.69(17) . 1_655 ?
O5 Cd2 K1 61.65(15) . 1_655 ?
O9 Cd2 K1 150.29(13) 1_455 1_655 ?
O4 Cd2 K1 121.25(13) 1_554 1_655 ?
O2 Cd2 K1 47.39(17) 1_554 1_655 ?
O1 Cd2 K1 100.13(12) 1_454 1_655 ?
Cd1 Cd2 K1 154.48(4) 1_454 1_655 ?
O8 Cd2 K1 128.47(15) . . ?
O5 Cd2 K1 40.38(14) . . ?
O9 Cd2 K1 87.74(13) 1_455 . ?
O4 Cd2 K1 137.37(13) 1_554 . ?
O2 Cd2 K1 100.02(13) 1_554 . ?
O1 Cd2 K1 47.14(16) 1_454 . ?
Cd1 Cd2 K1 117.85(4) 1_454 . ?
K1 Cd2 K1 87.31(4) 1_655 . ?
O13 Cd3 O11 98.88(18) . 3_666 ?
O13 Cd3 O7 153.90(18) . 3_766 ?
O11 Cd3 O7 95.03(18) 3_666 3_766 ?
O13 Cd3 O12 89.54(17) . 3_665 ?
O11 Cd3 O12 162.89(18) 3_666 3_665 ?
O7 Cd3 O12 83.28(17) 3_766 3_665 ?
O13 Cd3 O6 77.13(16) . 3_666 ?
O11 Cd3 O6 119.14(18) 3_666 3_666 ?
O7 Cd3 O6 76.80(17) 3_766 3_666 ?
O12 Cd3 O6 77.16(17) 3_665 3_666 ?
O13 Cd3 O11 119.14(17) . 1_655 ?
O11 Cd3 O11 78.81(18) 3_666 1_655 ?
O7 Cd3 O11 85.14(18) 3_766 1_655 ?
O12 Cd3 O11 84.08(17) 3_665 1_655 ?
O6 Cd3 O11 155.23(16) 3_666 1_655 ?
O13 Cd3 Cd1 127.88(13) . 3_766 ?
O11 Cd3 Cd1 133.09(13) 3_666 3_766 ?
O7 Cd3 Cd1 41.19(12) 3_766 3_766 ?
O12 Cd3 Cd1 42.15(11) 3_665 3_766 ?
O6 Cd3 Cd1 74.24(11) 3_666 3_766 ?
O11 Cd3 Cd1 81.00(11) 1_655 3_766 ?
O2 P1 O1 115.6(4) . . ?
O2 P1 O3 111.3(3) . . ?
O1 P1 O3 106.5(3) . . ?
O2 P1 O3 111.3(3) . 4_575 ?
O1 P1 O3 106.5(3) . 4_575 ?
O3 P1 O3 105.0(4) . 4_575 ?
O2 P1 K1 55.7(3) . 1_656 ?
O1 P1 K1 59.9(3) . 1_656 ?
O3 P1 K1 127.5(2) . 1_656 ?
O3 P1 K1 127.5(2) 4_575 1_656 ?
O2 P1 K1 156.1(3) . 1_655 ?
O1 P1 K1 88.3(3) . 1_655 ?
O3 P1 K1 58.0(2) . 1_655 ?
O3 P1 K1 58.0(2) 4_575 1_655 ?
K1 P1 K1 148.18(11) 1_656 1_655 ?
O6 P2 O5 115.6(3) . . ?
O6 P2 O4 114.9(3) . . ?
O5 P2 O4 112.1(3) . . ?
O6 P2 O3 101.6(3) . . ?
O5 P2 O3 105.2(3) . . ?
O4 P2 O3 105.6(3) . . ?
O6 P2 K1 150.0(2) . . ?
O5 P2 K1 47.3(2) . . ?
O4 P2 K1 66.4(2) . . ?
O3 P2 K1 106.70(19) . . ?
O6 P2 K1 95.1(2) . 1_655 ?
O5 P2 K1 63.4(2) . 1_655 ?
O4 P2 K1 146.1(2) . 1_655 ?
O3 P2 K1 50.23(18) . 1_655 ?
K1 P2 K1 95.55(5) . 1_655 ?
O8 P3 O7 112.9(3) . . ?
O8 P3 O9 113.2(3) . . ?
O7 P3 O9 110.8(3) . . ?
O8 P3 O10 111.5(3) . . ?
O7 P3 O10 103.8(3) . . ?
O9 P3 O10 103.9(3) . . ?
O12 P4 O11 111.2(3) . . ?
O12 P4 O13 113.1(3) . . ?
O11 P4 O13 112.4(3) . . ?
O12 P4 O10 108.6(3) . . ?
O11 P4 O10 109.5(3) . . ?
O13 P4 O10 101.4(3) . . ?
P1 O1 Cd2 129.25(14) . 4_676 ?
P1 O1 Cd2 129.25(14) . 1_656 ?
Cd2 O1 Cd2 98.4(2) 4_676 1_656 ?
P1 O1 K1 94.2(3) . 1_656 ?
Cd2 O1 K1 96.79(18) 4_676 1_656 ?
Cd2 O1 K1 96.79(18) 1_656 1_656 ?
P1 O2 Cd2 126.93(16) . 1_556 ?
P1 O2 Cd2 126.93(16) . 4_576 ?
Cd2 O2 Cd2 101.6(2) 1_556 4_576 ?
P1 O2 K1 98.8(3) . 1_656 ?
Cd2 O2 K1 95.81(19) 1_556 1_656 ?
Cd2 O2 K1 95.81(19) 4_576 1_656 ?
P1 O3 P2 138.3(3) . . ?
P1 O3 K1 96.2(2) . 1_655 ?
P2 O3 K1 105.3(2) . 1_655 ?
P2 O4 Cd2 131.5(3) . 1_556 ?
P2 O4 Cd1 119.8(3) . 1_455 ?
Cd2 O4 Cd1 96.39(17) 1_556 1_455 ?
P2 O4 K1 88.2(2) . . ?
Cd2 O4 K1 113.97(18) 1_556 . ?
Cd1 O4 K1 104.98(18) 1_455 . ?
P2 O5 Cd2 135.8(3) . . ?
P2 O5 K1 109.2(3) . . ?
Cd2 O5 K1 108.5(2) . . ?
P2 O6 Cd1 132.2(3) . . ?
P2 O6 Cd3 127.8(3) . 3_666 ?
Cd1 O6 Cd3 99.63(17) . 3_666 ?
P3 O7 Cd3 128.3(3) . 3_766 ?
P3 O7 Cd1 130.6(3) . . ?
Cd3 O7 Cd1 97.94(18) 3_766 . ?
P3 O8 Cd2 154.5(4) . . ?
P3 O8 K1 116.0(3) . 1_655 ?
Cd2 O8 K1 88.08(18) . 1_655 ?
P3 O9 Cd1 132.3(3) . 1_554 ?
P3 O9 Cd2 123.9(3) . 1_655 ?
Cd1 O9 Cd2 102.59(19) 1_554 1_655 ?
P4 O10 P3 151.4(4) . . ?
P4 O11 Cd3 137.0(3) . 3_666 ?
P4 O11 Cd3 119.1(3) . 1_455 ?
Cd3 O11 Cd3 101.19(18) 3_666 1_455 ?
P4 O12 Cd3 129.7(3) . 3_665 ?
P4 O12 Cd1 134.3(3) . 1_454 ?
Cd3 O12 Cd1 96.00(17) 3_665 1_454 ?
P4 O13 Cd3 124.3(3) . . ?
P4 O13 Cd1 129.3(3) . 3_666 ?
Cd3 O13 Cd1 103.61(19) . 3_666 ?

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
O2 P1 O1 Cd2 -102.3(4) . . . 4_676 ?
O3 P1 O1 Cd2 133.6(4) . . . 4_676 ?
O3 P1 O1 Cd2 21.9(5) 4_575 . . 4_676 ?
K1 P1 O1 Cd2 -102.3(4) 1_656 . . 4_676 ?
K1 P1 O1 Cd2 77.7(4) 1_655 . . 4_676 ?
O2 P1 O1 Cd2 102.3(4) . . . 1_656 ?
O3 P1 O1 Cd2 -21.9(5) . . . 1_656 ?
O3 P1 O1 Cd2 -133.6(4) 4_575 . . 1_656 ?
K1 P1 O1 Cd2 102.3(4) 1_656 . . 1_656 ?
K1 P1 O1 Cd2 -77.7(4) 1_655 . . 1_656 ?
O2 P1 O1 K1 0.000(2) . . . 1_656 ?
O3 P1 O1 K1 -124.2(2) . . . 1_656 ?
O3 P1 O1 K1 124.2(2) 4_575 . . 1_656 ?
K1 P1 O1 K1 180.000(1) 1_655 . . 1_656 ?
O1 P1 O2 Cd2 -104.1(4) . . . 1_556 ?
O3 P1 O2 Cd2 17.5(6) . . . 1_556 ?
O3 P1 O2 Cd2 134.2(4) 4_575 . . 1_556 ?
K1 P1 O2 Cd2 -104.1(4) 1_656 . . 1_556 ?
K1 P1 O2 Cd2 75.9(4) 1_655 . . 1_556 ?
O1 P1 O2 Cd2 104.1(4) . . . 4_576 ?
O3 P1 O2 Cd2 -134.2(4) . . . 4_576 ?
O3 P1 O2 Cd2 -17.5(6) 4_575 . . 4_576 ?
K1 P1 O2 Cd2 104.1(4) 1_656 . . 4_576 ?
K1 P1 O2 Cd2 -75.9(4) 1_655 . . 4_576 ?
O1 P1 O2 K1 0.000(2) . . . 1_656 ?
O3 P1 O2 K1 121.6(2) . . . 1_656 ?
O3 P1 O2 K1 -121.6(2) 4_575 . . 1_656 ?
K1 P1 O2 K1 180.000(5) 1_655 . . 1_656 ?
O2 P1 O3 P2 34.7(6) . . . . ?
O1 P1 O3 P2 161.5(5) . . . . ?
O3 P1 O3 P2 -85.8(6) 4_575 . . . ?
K1 P1 O3 P2 97.1(5) 1_656 . . . ?
K1 P1 O3 P2 -121.3(6) 1_655 . . . ?
O2 P1 O3 K1 156.0(3) . . . 1_655 ?
O1 P1 O3 K1 -77.2(3) . . . 1_655 ?
O3 P1 O3 K1 35.5(4) 4_575 . . 1_655 ?
K1 P1 O3 K1 -141.59(17) 1_656 . . 1_655 ?
O6 P2 O3 P1 -154.7(5) . . . . ?
O5 P2 O3 P1 84.4(5) . . . . ?
O4 P2 O3 P1 -34.4(6) . . . . ?
K1 P2 O3 P1 35.1(5) . . . . ?
K1 P2 O3 P1 118.3(6) 1_655 . . . ?
O6 P2 O3 K1 87.0(3) . . . 1_655 ?
O5 P2 O3 K1 -33.9(3) . . . 1_655 ?
O4 P2 O3 K1 -152.7(2) . . . 1_655 ?
K1 P2 O3 K1 -83.20(17) . . . 1_655 ?
O6 P2 O4 Cd2 91.9(4) . . . 1_556 ?
O5 P2 O4 Cd2 -133.3(4) . . . 1_556 ?
O3 P2 O4 Cd2 -19.3(4) . . . 1_556 ?
K1 P2 O4 Cd2 -121.0(4) . . . 1_556 ?
K1 P2 O4 Cd2 -58.5(6) 1_655 . . 1_556 ?
O6 P2 O4 Cd1 -40.8(4) . . . 1_455 ?
O5 P2 O4 Cd1 94.0(4) . . . 1_455 ?
O3 P2 O4 Cd1 -152.0(3) . . . 1_455 ?
K1 P2 O4 Cd1 106.3(3) . . . 1_455 ?
K1 P2 O4 Cd1 168.79(14) 1_655 . . 1_455 ?
O6 P2 O4 K1 -147.1(2) . . . . ?
O5 P2 O4 K1 -12.3(3) . . . . ?
O3 P2 O4 K1 101.7(2) . . . . ?
K1 P2 O4 K1 62.5(4) 1_655 . . . ?
O6 P2 O5 Cd2 2.6(6) . . . . ?
O4 P2 O5 Cd2 -131.8(4) . . . . ?
O3 P2 O5 Cd2 113.9(4) . . . . ?
K1 P2 O5 Cd2 -147.3(6) . . . . ?
K1 P2 O5 Cd2 85.2(4) 1_655 . . . ?
O6 P2 O5 K1 149.9(2) . . . . ?
O4 P2 O5 K1 15.4(4) . . . . ?
O3 P2 O5 K1 -98.9(3) . . . . ?
K1 P2 O5 K1 -127.6(3) 1_655 . . . ?
O5 P2 O6 Cd1 111.2(4) . . . . ?
O4 P2 O6 Cd1 -115.7(4) . . . . ?
O3 P2 O6 Cd1 -2.2(4) . . . . ?
K1 P2 O6 Cd1 158.77(18) . . . . ?
K1 P2 O6 Cd1 48.3(4) 1_655 . . . ?
O5 P2 O6 Cd3 -77.2(4) . . . 3_666 ?
O4 P2 O6 Cd3 55.9(4) . . . 3_666 ?
O3 P2 O6 Cd3 169.4(3) . . . 3_666 ?
K1 P2 O6 Cd3 -29.6(6) . . . 3_666 ?
K1 P2 O6 Cd3 -140.1(3) 1_655 . . 3_666 ?
O8 P3 O7 Cd3 -176.6(4) . . . 3_766 ?
O9 P3 O7 Cd3 -48.5(4) . . . 3_766 ?
O10 P3 O7 Cd3 62.5(4) . . . 3_766 ?
O8 P3 O7 Cd1 27.8(5) . . . . ?
O9 P3 O7 Cd1 155.9(3) . . . . ?
O10 P3 O7 Cd1 -93.1(4) . . . . ?
O7 P3 O8 Cd2 -146.7(8) . . . . ?
O9 P3 O8 Cd2 86.5(9) . . . . ?
O10 P3 O8 Cd2 -30.2(10) . . . . ?
O7 P3 O8 K1 54.3(4) . . . 1_655 ?
O9 P3 O8 K1 -72.6(3) . . . 1_655 ?
O10 P3 O8 K1 170.7(3) . . . 1_655 ?
O8 P3 O9 Cd1 -97.5(5) . . . 1_554 ?
O7 P3 O9 Cd1 134.6(4) . . . 1_554 ?
O10 P3 O9 Cd1 23.7(5) . . . 1_554 ?
O8 P3 O9 Cd2 67.7(4) . . . 1_655 ?
O7 P3 O9 Cd2 -60.3(4) . . . 1_655 ?
O10 P3 O9 Cd2 -171.1(3) . . . 1_655 ?
O12 P4 O10 P3 56.3(9) . . . . ?
O11 P4 O10 P3 -65.3(9) . . . . ?
O13 P4 O10 P3 175.7(8) . . . . ?
O8 P3 O10 P4 5.5(10) . . . . ?
O7 P3 O10 P4 127.4(8) . . . . ?
O9 P3 O10 P4 -116.7(8) . . . . ?
O12 P4 O11 Cd3 -125.4(4) . . . 3_666 ?
O13 P4 O11 Cd3 106.5(4) . . . 3_666 ?
O10 P4 O11 Cd3 -5.4(5) . . . 3_666 ?
O12 P4 O11 Cd3 77.2(4) . . . 1_455 ?
O13 P4 O11 Cd3 -50.8(4) . . . 1_455 ?
O10 P4 O11 Cd3 -162.8(3) . . . 1_455 ?
O11 P4 O12 Cd3 -156.4(3) . . . 3_665 ?
O13 P4 O12 Cd3 -28.7(5) . . . 3_665 ?
O10 P4 O12 Cd3 83.0(4) . . . 3_665 ?
O11 P4 O12 Cd1 21.4(5) . . . 1_454 ?
O13 P4 O12 Cd1 149.0(4) . . . 1_454 ?
O10 P4 O12 Cd1 -99.2(4) . . . 1_454 ?
O12 P4 O13 Cd3 129.8(3) . . . . ?
O11 P4 O13 Cd3 -103.2(3) . . . . ?
O10 P4 O13 Cd3 13.7(4) . . . . ?
O12 P4 O13 Cd1 -72.7(4) . . . 3_666 ?
O11 P4 O13 Cd1 54.3(4) . . . 3_666 ?
O10 P4 O13 Cd1 171.2(3) . . . 3_666 ?

####################################################################### 
# 
# 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_mo_cbjk_0m
_database_code_depnum_ccdc_archive 'CCDC 2218962'
loop_
_audit_author_name
_audit_author_address
'Ying Wang'
;College of Chemistry and Environmental Science, Hebei University
China
;
_audit_update_record             
;
2022-11-11 deposited with the CCDC.	2022-12-23 downloaded from the CCDC.
;
_audit_creation_date             2022-05-30
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.08.20 svn.r13c46975 for OlexSys, GUI svn.r6396)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Cd3 K O11 P3'
_chemical_formula_sum            'Cd3 K O11 P3'
_chemical_formula_weight         645.21
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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           57
_space_group_name_H-M_alt        'P b c m'
_space_group_name_Hall           '-P 2c 2b'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x, y-1/2, z'

_cell_length_a                   8.2828(3)
_cell_length_b                   9.1660(3)
_cell_length_c                   12.4341(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     944.00(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4661
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      3.277
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.702
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6558
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0654 before and 0.0521 after correction.
The Ratio of minimum to maximum transmission is 0.8796.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    4.540
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0329
_diffrn_reflns_av_unetI/netI     0.0160
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10139
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.491
_diffrn_reflns_theta_min         2.459
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1050
_reflns_number_total             1128
_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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.435
_refine_diff_density_min         -0.646
_refine_diff_density_rms         0.136
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.127
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     90
_refine_ls_number_reflns         1128
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0192
_refine_ls_R_factor_gt           0.0166
_refine_ls_restrained_S_all      1.127
_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)+(0.0163P)²+1.4835P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0390
_refine_ls_wR_factor_ref         0.0404
_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
Cd1 Cd -0.05849(3) 0.39577(3) 0.250000 0.01060(8) Uani 1 2 d S T P . .
Cd2 Cd 0.43307(2) 0.60001(2) 0.60885(2) 0.01233(8) Uani 1 1 d . . . . .
K1 K 0.11670(13) 0.250000 0.500000 0.0207(2) Uani 1 2 d S T P . .
P1 P 0.69126(12) 0.81684(11) 0.750000 0.0093(2) Uani 1 2 d S T P . .
P2 P 0.22339(9) 0.59178(7) 0.36821(6) 0.00811(15) Uani 1 1 d . . . . .
O1 O 0.0661(2) 0.5136(2) 0.38282(17) 0.0131(4) Uani 1 1 d . . . . .
O2 O 0.2072(2) 0.7573(2) 0.37359(16) 0.0115(4) Uani 1 1 d . . . . .
O3 O 0.2956(3) 0.5524(3) 0.250000 0.0102(6) Uani 1 2 d S T P . .
O4 O 0.3537(2) 0.5363(2) 0.44448(16) 0.0123(4) Uani 1 1 d . . . . .
O5 O 0.6056(3) 0.7698(2) 0.64741(19) 0.0209(5) Uani 1 1 d . . . . .
O6 O 0.8681(4) 0.7766(3) 0.750000 0.0207(7) Uani 1 2 d S T P . .
O7 O 0.6852(3) 0.9916(3) 0.750000 0.0120(6) Uani 1 2 d S T P . .


_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
Cd1 K1 3.6815(5) 6_556 ?
Cd1 K1 3.6815(5) . ?
Cd1 O1 2.227(2) 6_556 ?
Cd1 O1 2.227(2) . ?
Cd1 O2 2.343(2) 8 ?
Cd1 O2 2.343(2) 3_545 ?
Cd1 O6 2.232(3) 5_666 ?
Cd1 O7 2.360(3) 7_475 ?
Cd2 Cd2 3.4521(4) 5_666 ?
Cd2 K1 4.1986(10) 5_666 ?
Cd2 O2 2.293(2) 4_566 ?
Cd2 O4 2.263(2) 5_666 ?
Cd2 O4 2.225(2) . ?
Cd2 O5 2.167(2) . ?
Cd2 O7 2.2421(17) 3_646 ?
K1 O1 2.852(2) 4_556 ?
K1 O1 3.019(2) 5_566 ?
K1 O1 2.852(2) . ?
K1 O1 3.019(2) 8 ?
K1 O2 3.110(2) 8 ?
K1 O2 3.110(2) 5_566 ?
K1 O4 3.349(2) . ?
K1 O4 3.349(2) 4_556 ?
K1 O5 2.947(3) 8_655 ?
K1 O5 2.947(3) 5_666 ?
K1 O6 3.1206(3) 5_666 ?
K1 O6 3.1206(3) 3_646 ?
P1 O5 1.522(2) 6_557 ?
P1 O5 1.522(2) . ?
P1 O6 1.511(3) . ?
P1 O7 1.603(3) . ?
P2 O1 1.498(2) . ?
P2 O2 1.525(2) . ?
P2 O3 1.6273(14) . ?
P2 O4 1.524(2) . ?

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
K1 Cd1 K1 115.21(2) 6_556 . ?
O1 Cd1 K1 128.28(5) 6_556 . ?
O1 Cd1 K1 50.74(5) 6_556 6_556 ?
O1 Cd1 K1 128.28(5) . 6_556 ?
O1 Cd1 K1 50.74(5) . . ?
O1 Cd1 O1 95.74(10) 6_556 . ?
O1 Cd1 O2 91.14(7) . 8 ?
O1 Cd1 O2 91.14(7) 6_556 3_545 ?
O1 Cd1 O2 173.11(7) 6_556 8 ?
O1 Cd1 O2 173.11(7) . 3_545 ?
O1 Cd1 O6 90.91(8) . 5_666 ?
O1 Cd1 O6 90.91(8) 6_556 5_666 ?
O1 Cd1 O7 101.82(7) 6_556 7_475 ?
O1 Cd1 O7 101.82(7) . 7_475 ?
O2 Cd1 K1 124.36(5) 3_545 . ?
O2 Cd1 K1 124.36(5) 8 6_556 ?
O2 Cd1 K1 57.10(5) 3_545 6_556 ?
O2 Cd1 K1 57.10(5) 8 . ?
O2 Cd1 O2 81.97(10) 3_545 8 ?
O2 Cd1 O7 76.35(7) 8 7_475 ?
O2 Cd1 O7 76.35(7) 3_545 7_475 ?
O6 Cd1 K1 57.635(11) 5_666 . ?
O6 Cd1 K1 57.635(10) 5_666 6_556 ?
O6 Cd1 O2 89.32(8) 5_666 3_545 ?
O6 Cd1 O2 89.32(8) 5_666 8 ?
O6 Cd1 O7 160.87(11) 5_666 7_475 ?
O7 Cd1 K1 120.875(18) 7_475 6_556 ?
O7 Cd1 K1 120.875(18) 7_475 . ?
Cd2 Cd2 K1 68.647(7) 5_666 5_666 ?
O2 Cd2 Cd2 129.76(5) 4_566 5_666 ?
O2 Cd2 K1 124.65(5) 4_566 5_666 ?
O4 Cd2 Cd2 40.11(5) . 5_666 ?
O4 Cd2 Cd2 39.31(5) 5_666 5_666 ?
O4 Cd2 K1 52.63(5) 5_666 5_666 ?
O4 Cd2 K1 93.00(5) . 5_666 ?
O4 Cd2 O2 89.78(7) . 4_566 ?
O4 Cd2 O2 168.42(7) 5_666 4_566 ?
O4 Cd2 O4 79.43(8) . 5_666 ?
O4 Cd2 O7 118.27(8) . 3_646 ?
O5 Cd2 Cd2 110.08(6) . 5_666 ?
O5 Cd2 K1 41.44(6) . 5_666 ?
O5 Cd2 O2 96.15(8) . 4_566 ?
O5 Cd2 O4 125.93(8) . . ?
O5 Cd2 O4 86.95(8) . 5_666 ?
O5 Cd2 O7 115.67(9) . 3_646 ?
O7 Cd2 Cd2 121.25(6) 3_646 5_666 ?
O7 Cd2 K1 141.77(7) 3_646 5_666 ?
O7 Cd2 O2 79.73(9) 3_646 4_566 ?
O7 Cd2 O4 109.02(9) 3_646 5_666 ?
O1 K1 O1 64.20(7) 4_556 8 ?
O1 K1 O1 106.73(6) 4_556 5_566 ?
O1 K1 O1 64.20(7) . 5_566 ?
O1 K1 O1 163.11(9) . 4_556 ?
O1 K1 O1 106.73(6) . 8 ?
O1 K1 O1 119.78(8) 8 5_566 ?
O1 K1 O2 98.61(6) 4_556 8 ?
O1 K1 O2 78.21(6) 5_566 8 ?
O1 K1 O2 66.23(6) . 8 ?
O1 K1 O2 66.23(6) 4_556 5_566 ?
O1 K1 O2 78.21(6) 8 5_566 ?
O1 K1 O2 48.61(5) 8 8 ?
O1 K1 O2 48.61(5) 5_566 5_566 ?
O1 K1 O2 98.61(6) . 5_566 ?
O1 K1 O4 80.27(5) 5_566 . ?
O1 K1 O4 80.27(5) 8 4_556 ?
O1 K1 O4 139.20(5) 8 . ?
O1 K1 O4 148.77(6) 4_556 . ?
O1 K1 O4 139.20(5) 5_566 4_556 ?
O1 K1 O4 46.93(5) . . ?
O1 K1 O4 46.93(5) 4_556 4_556 ?
O1 K1 O4 148.77(6) . 4_556 ?
O1 K1 O5 112.35(6) 4_556 5_666 ?
O1 K1 O5 112.34(6) . 8_655 ?
O1 K1 O5 81.32(6) . 5_666 ?
O1 K1 O5 81.32(6) 4_556 8_655 ?
O1 K1 O6 123.86(7) 8 3_646 ?
O1 K1 O6 64.10(7) . 5_666 ?
O1 K1 O6 58.89(7) 5_566 3_646 ?
O1 K1 O6 64.10(7) 4_556 3_646 ?
O1 K1 O6 116.66(7) . 3_646 ?
O1 K1 O6 123.86(7) 5_566 5_666 ?
O1 K1 O6 58.89(7) 8 5_666 ?
O1 K1 O6 116.66(7) 4_556 5_666 ?
O2 K1 O2 60.77(8) 8 5_566 ?
O2 K1 O4 112.62(5) 8 . ?
O2 K1 O4 128.81(5) 5_566 . ?
O2 K1 O4 112.62(5) 5_566 4_556 ?
O2 K1 O4 128.81(5) 8 4_556 ?
O2 K1 O6 122.44(7) 8 3_646 ?
O2 K1 O6 122.44(7) 5_566 5_666 ?
O2 K1 O6 62.16(7) 5_566 3_646 ?
O2 K1 O6 62.16(7) 8 5_666 ?
O4 K1 O4 108.23(7) 4_556 . ?
O5 K1 O1 137.40(6) 8_655 8 ?
O5 K1 O1 92.70(6) 5_666 8 ?
O5 K1 O1 92.70(6) 8_655 5_566 ?
O5 K1 O1 137.40(6) 5_666 5_566 ?
O5 K1 O2 170.53(6) 8_655 8 ?
O5 K1 O2 111.13(6) 8_655 5_566 ?
O5 K1 O2 170.53(6) 5_666 5_566 ?
O5 K1 O2 111.13(6) 5_666 8 ?
O5 K1 O4 67.81(6) 5_666 4_556 ?
O5 K1 O4 57.49(6) 8_655 4_556 ?
O5 K1 O4 67.81(6) 8_655 . ?
O5 K1 O4 57.49(6) 5_666 . ?
O5 K1 O5 77.37(9) 8_655 5_666 ?
O5 K1 O6 49.02(7) 8_655 3_646 ?
O5 K1 O6 49.02(7) 5_666 5_666 ?
O5 K1 O6 126.36(8) 5_666 3_646 ?
O5 K1 O6 126.36(8) 8_655 5_666 ?
O6 K1 O4 80.34(7) 5_666 . ?
O6 K1 O4 96.92(7) 3_646 . ?
O6 K1 O4 80.34(7) 3_646 4_556 ?
O6 K1 O4 96.92(7) 5_666 4_556 ?
O6 K1 O6 175.38(12) 3_646 5_666 ?
K1 P1 K1 122.52(4) 2_665 5_666 ?
O5 P1 K1 54.93(10) 6_557 2_665 ?
O5 P1 K1 153.53(10) 6_557 5_666 ?
O5 P1 K1 54.93(9) . 5_666 ?
O5 P1 K1 153.53(10) . 2_665 ?
O5 P1 O5 113.88(19) . 6_557 ?
O5 P1 O7 105.57(11) . . ?
O5 P1 O7 105.57(11) 6_557 . ?
O6 P1 K1 61.49(2) . 5_666 ?
O6 P1 K1 61.49(2) . 2_665 ?
O6 P1 O5 112.52(11) . . ?
O6 P1 O5 112.52(11) . 6_557 ?
O6 P1 O7 105.92(17) . . ?
O7 P1 K1 100.76(5) . 2_665 ?
O7 P1 K1 100.76(5) . 5_666 ?
K1 P2 K1 87.217(18) 5_566 . ?
O1 P2 K1 47.41(8) . . ?
O1 P2 K1 56.78(8) . 5_566 ?
O1 P2 O2 113.24(12) . . ?
O1 P2 O3 108.84(13) . . ?
O1 P2 O4 112.38(12) . . ?
O2 P2 K1 60.39(8) . 5_566 ?
O2 P2 K1 144.54(9) . . ?
O2 P2 O3 107.01(13) . . ?
O3 P2 K1 107.74(10) . . ?
O3 P2 K1 142.67(10) . 5_566 ?
O4 P2 K1 114.15(8) . 5_566 ?
O4 P2 K1 66.74(8) . . ?
O4 P2 O2 111.54(12) . . ?
O4 P2 O3 103.17(12) . . ?
Cd1 O1 K1 118.27(8) . 5_566 ?
Cd1 O1 K1 92.07(7) . . ?
K1 O1 K1 115.80(7) . 5_566 ?
P2 O1 Cd1 123.04(12) . . ?
P2 O1 K1 98.70(10) . 5_566 ?
P2 O1 K1 109.85(11) . . ?
Cd1 O2 K1 83.66(6) 3 5_566 ?
Cd2 O2 Cd1 100.51(8) 4_566 3 ?
Cd2 O2 K1 131.91(8) 4_566 5_566 ?
P2 O2 Cd1 123.81(11) . 3 ?
P2 O2 Cd2 120.01(11) . 4_566 ?
P2 O2 K1 94.39(9) . 5_566 ?
P2 O3 P2 129.18(18) 6_556 . ?
Cd2 O4 Cd2 100.57(8) . 5_666 ?
Cd2 O4 K1 100.93(7) . . ?
Cd2 O4 K1 94.90(7) 5_666 . ?
P2 O4 Cd2 123.69(12) . 5_666 ?
P2 O4 Cd2 133.88(12) . . ?
P2 O4 K1 88.55(9) . . ?
Cd2 O5 K1 109.44(9) . 5_666 ?
P1 O5 Cd2 134.14(15) . . ?
P1 O5 K1 100.06(11) . 5_666 ?
Cd1 O6 K1 85.20(6) 5_666 5_666 ?
Cd1 O6 K1 85.20(6) 5_666 2_665 ?
K1 O6 K1 169.92(11) 2_665 5_666 ?
P1 O6 Cd1 149.08(19) . 5_666 ?
P1 O6 K1 93.33(6) . 5_666 ?
P1 O6 K1 93.33(6) . 2_665 ?
Cd2 O7 Cd1 101.49(8) 3_656 7_676 ?
Cd2 O7 Cd1 101.49(8) 8_665 7_676 ?
Cd2 O7 Cd2 103.04(11) 8_665 3_656 ?
P1 O7 Cd1 114.14(15) . 7_676 ?
P1 O7 Cd2 117.16(9) . 8_665 ?
P1 O7 Cd2 117.16(9) . 3_656 ?

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
K1 P1 O5 Cd2 36.4(4) 2_665 . . . ?
K1 P1 O5 Cd2 130.0(2) 5_666 . . . ?
K1 P1 O5 K1 -93.7(2) 2_665 . . 5_666 ?
K1 P1 O6 Cd1 -86.21(6) 5_666 . . 5_666 ?
K1 P1 O6 Cd1 86.21(6) 2_665 . . 5_666 ?
K1 P1 O6 K1 172.43(13) 2_665 . . 5_666 ?
K1 P1 O6 K1 -172.43(13) 5_666 . . 2_665 ?
K1 P1 O7 Cd1 -63.19(3) 5_666 . . 7_676 ?
K1 P1 O7 Cd1 63.19(3) 2_665 . . 7_676 ?
K1 P1 O7 Cd2 -55.19(14) 2_665 . . 3_656 ?
K1 P1 O7 Cd2 55.19(14) 5_666 . . 8_665 ?
K1 P1 O7 Cd2 178.43(10) 5_666 . . 3_656 ?
K1 P1 O7 Cd2 -178.43(10) 2_665 . . 8_665 ?
K1 P2 O1 Cd1 -106.30(16) . . . . ?
K1 P2 O1 Cd1 132.15(16) 5_566 . . . ?
K1 P2 O1 K1 121.55(11) . . . 5_566 ?
K1 P2 O1 K1 -121.55(11) 5_566 . . . ?
K1 P2 O2 Cd1 -85.30(12) 5_566 . . 3 ?
K1 P2 O2 Cd1 -111.90(14) . . . 3 ?
K1 P2 O2 Cd2 144.88(14) 5_566 . . 4_566 ?
K1 P2 O2 Cd2 118.27(12) . . . 4_566 ?
K1 P2 O2 K1 -26.60(16) . . . 5_566 ?
K1 P2 O3 P2 115.3(2) . . . 6_556 ?
K1 P2 O3 P2 5.7(4) 5_566 . . 6_556 ?
K1 P2 O4 Cd2 -28.33(19) 5_566 . . . ?
K1 P2 O4 Cd2 -103.81(16) . . . . ?
K1 P2 O4 Cd2 170.40(8) 5_566 . . 5_666 ?
K1 P2 O4 Cd2 94.92(12) . . . 5_666 ?
K1 P2 O4 K1 75.48(6) 5_566 . . . ?
O1 P2 O2 Cd1 -63.72(16) . . . 3 ?
O1 P2 O2 Cd2 166.46(12) . . . 4_566 ?
O1 P2 O2 K1 21.58(12) . . . 5_566 ?
O1 P2 O3 P2 65.2(2) . . . 6_556 ?
O1 P2 O4 Cd2 108.09(14) . . . 5_666 ?
O1 P2 O4 Cd2 -90.63(18) . . . . ?
O1 P2 O4 K1 13.18(12) . . . . ?
O2 P2 O1 Cd1 109.67(14) . . . . ?
O2 P2 O1 K1 -144.03(10) . . . . ?
O2 P2 O1 K1 -22.48(13) . . . 5_566 ?
O2 P2 O3 P2 -57.5(3) . . . 6_556 ?
O2 P2 O4 Cd2 37.8(2) . . . . ?
O2 P2 O4 Cd2 -123.51(13) . . . 5_666 ?
O2 P2 O4 K1 141.58(9) . . . . ?
O3 P2 O1 Cd1 -9.20(18) . . . . ?
O3 P2 O1 K1 97.10(13) . . . . ?
O3 P2 O1 K1 -141.35(11) . . . 5_566 ?
O3 P2 O2 Cd1 56.20(17) . . . 3 ?
O3 P2 O2 Cd2 -73.62(16) . . . 4_566 ?
O3 P2 O2 K1 141.50(11) . . . 5_566 ?
O3 P2 O4 Cd2 -8.97(17) . . . 5_666 ?
O3 P2 O4 Cd2 152.31(17) . . . . ?
O3 P2 O4 K1 -103.88(11) . . . . ?
O4 P2 O1 Cd1 -122.83(14) . . . . ?
O4 P2 O1 K1 -16.53(14) . . . . ?
O4 P2 O1 K1 105.03(11) . . . 5_566 ?
O4 P2 O2 Cd1 168.34(12) . . . 3 ?
O4 P2 O2 Cd2 38.52(16) . . . 4_566 ?
O4 P2 O2 K1 -106.36(10) . . . 5_566 ?
O4 P2 O3 P2 -175.3(2) . . . 6_556 ?
O5 P1 O5 Cd2 -22.3(3) 6_557 . . . ?
O5 P1 O5 K1 -152.29(10) 6_557 . . 5_666 ?
O5 P1 O6 Cd1 65.13(12) 6_557 . . 5_666 ?
O5 P1 O6 Cd1 -65.13(12) . . . 5_666 ?
O5 P1 O6 K1 21.08(16) . . . 5_666 ?
O5 P1 O6 K1 -21.08(16) 6_557 . . 2_665 ?
O5 P1 O6 K1 -151.35(11) . . . 2_665 ?
O5 P1 O6 K1 151.35(11) 6_557 . . 5_666 ?
O5 P1 O7 Cd1 -119.54(11) . . . 7_676 ?
O5 P1 O7 Cd1 119.54(11) 6_557 . . 7_676 ?
O5 P1 O7 Cd2 -1.16(18) . . . 8_665 ?
O5 P1 O7 Cd2 122.08(13) . . . 3_656 ?
O5 P1 O7 Cd2 1.16(18) 6_557 . . 3_656 ?
O5 P1 O7 Cd2 -122.08(13) 6_557 . . 8_665 ?
O6 P1 O5 Cd2 107.3(2) . . . . ?
O6 P1 O5 K1 -22.72(17) . . . 5_666 ?
O6 P1 O7 Cd1 0.0 . . . 7_676 ?
O6 P1 O7 Cd2 118.38(12) . . . 8_665 ?
O6 P1 O7 Cd2 -118.38(12) . . . 3_656 ?
O7 P1 O5 Cd2 -137.60(18) . . . . ?
O7 P1 O5 K1 92.36(12) . . . 5_666 ?
O7 P1 O6 Cd1 180.0 . . . 5_666 ?
O7 P1 O6 K1 -93.79(6) . . . 5_666 ?
O7 P1 O6 K1 93.79(6) . . . 2_665 ?

_olex2_submission_special_instructions 'No special instructions were received'
