# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_66666666
_audit_block_doi                 10.25505/fiz.icsd.cc2kpj3x
_database_code_depnum_ccdc_archive 'CCDC 2374169'
loop_
_audit_author_name
_audit_author_address
'Jiawei Zhao'
;Changji University
China
;
_audit_update_record             
;
2024-07-29 deposited with the CCDC.	2024-10-29 downloaded from the CCDC.
;
_audit_creation_date             2023-11-29
_audit_creation_method           
;
Olex2 1.5-alpha
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'K1 O4 P1 Zn1'
_chemical_formula_sum            'K O4 P Zn'
_chemical_formula_weight         199.44
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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'
Zn Zn 0.2839 1.4301 '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      hexagonal
_space_group_IT_number           173
_space_group_name_H-M_alt        'P 63'
_space_group_name_Hall           'P 6c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x-y, x, z+1/2'
'-y, x-y, z'
'-x, -y, z+1/2'
'-x+y, -x, z'
'y, -x+y, z+1/2'

_cell_length_a                   10.4679(3)
_cell_length_b                   10.4679(3)
_cell_length_c                   8.5012(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     806.73(6)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    4498
_cell_measurement_temperature    153.15
_cell_measurement_theta_max      27.36
_cell_measurement_theta_min      3.29
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.388
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6246
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0802 before and 0.0608 after correction.
The Ratio of minimum to maximum transmission is 0.8378.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    3.284
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       ?
_exptl_crystal_F_000             768
_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  0.0417
_diffrn_reflns_av_unetI/netI     0.0289
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            5656
_diffrn_reflns_point_group_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        24.966
_diffrn_reflns_theta_max         24.966
_diffrn_reflns_theta_min         2.247
_diffrn_ambient_temperature      153.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_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         0.865
_reflns_Friedel_fraction_full    0.986
_reflns_Friedel_fraction_max     0.986
_reflns_number_gt                933
_reflns_number_total             936
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_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-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.063
_refine_diff_density_min         -0.740
_refine_diff_density_rms         0.141
_refine_ls_abs_structure_details 
;
 Flack x determined using 429 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.103(14)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     104
_refine_ls_number_reflns         936
_refine_ls_number_restraints     196
_refine_ls_R_factor_all          0.0326
_refine_ls_R_factor_gt           0.0325
_refine_ls_restrained_S_all      1.171
_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)+(0.0373P)²+4.4421P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0823
_refine_ls_wR_factor_ref         0.0825
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.560(7)
 0.440(7)
2. Restrained distances
 P005-O4 \\sim P005-O5
 with sigma of 0.02
3. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.005 and sigma
for terminal atoms of 0.01 within 2A
All non-hydrogen atoms restrained to be isotropic: with sigma of 0.005 and
sigma for terminal atoms of 0.01
5. Others
 Fixed Sof: O3(0.6147) O2(0.3853) O4(0.5) O5(0.5)
;
_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
Zn01 Zn -0.666667 -0.333333 -0.0686(2) 0.0090(5) Uani 1 3 d S TU P B .
Zn02 Zn -0.67364(13) -0.8417(2) -0.19335(16) 0.0145(4) Uani 1 1 d . U . . .
P005 P -0.8298(6) -0.6723(3) -0.0791(4) 0.0146(7) Uani 1 1 d D U . . .
P006 P -0.666667 -0.333333 -0.6710(6) 0.0096(10) Uani 1 3 d S TU P B .
O1 O -0.7105(11) -0.5264(10) -0.1469(11) 0.0159(17) Uani 1 1 d . U . . .
O007 O -0.333333 -0.666667 -0.3494(19) 0.030(3) Uani 1 3 d S TU P . .
O008 O -0.5156(11) -0.3016(12) -0.6141(12) 0.020(2) Uani 1 1 d . U . . .
O3 O -0.7741(16) -0.680(2) 0.0899(15) 0.009(2) Uani 0.6147 1 d . U P A 1
O00C O -0.8275(11) -0.7979(10) -0.1632(12) 0.0227(17) Uani 1 1 d . U . . .
O2 O -0.674(4) -0.771(3) -0.422(3) 0.017(3) Uani 0.3853 1 d . U P B 2
K003 K -0.5208(4) -0.4790(4) -0.3767(4) 0.0127(4) Uani 1 1 d . U . B 2
K004 K -1.000000 -1.000000 0.1083(5) 0.0198(10) Uani 1 3 d S TU P A 2
O4 O -0.9789(17) -0.6864(18) -0.0713(19) 0.012(2) Uani 0.5 1 d D U P A .
O5 O -0.9739(18) -0.698(2) -0.186(2) 0.022(3) Uani 0.5 1 d D U P A .


_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
Zn01 O1 1.952(9) 5_445 ?
Zn01 O1 1.952(9) . ?
Zn01 O1 1.952(9) 3_455 ?
Zn01 O007 1.864(16) 2_455 ?
Zn01 K003 3.772(3) 2_455 ?
Zn01 K003 3.772(3) 6 ?
Zn01 K003 3.772(3) 4_445 ?
Zn01 K003 3.721(3) . ?
Zn01 K003 3.721(3) 5_445 ?
Zn01 K003 3.721(3) 3_455 ?
Zn02 O008 1.912(10) 4_445 ?
Zn02 O3 1.951(13) 6_544 ?
Zn02 O00C 1.899(10) . ?
Zn02 O2 2.08(3) . ?
Zn02 K003 3.920(4) 6_545 ?
Zn02 K003 3.567(4) 3_445 ?
Zn02 K003 3.979(4) 4_445 ?
Zn02 K003 3.650(4) . ?
Zn02 K004 3.406(3) 2_454 ?
Zn02 K004 3.916(3) . ?
Zn02 O4 2.016(16) 5_435 ?
Zn02 O5 1.729(17) 5_435 ?
P005 O1 1.522(9) . ?
P005 O3 1.568(14) . ?
P005 O00C 1.508(10) . ?
P005 O2 1.53(3) 2_455 ?
P005 K003 3.796(5) . ?
P005 K003 3.730(6) 2_455 ?
P005 K003 3.623(6) 4_445 ?
P005 K004 3.372(4) . ?
P005 O4 1.494(16) . ?
P005 O5 1.662(18) . ?
P006 O007 1.517(17) 2_454 ?
P006 O008 1.523(10) . ?
P006 O008 1.523(10) 3_455 ?
P006 O008 1.523(10) 5_445 ?
P006 K003 3.639(5) 5_445 ?
P006 K003 3.824(3) 4_444 ?
P006 K003 3.824(3) 6_554 ?
P006 K003 3.639(5) . ?
P006 K003 3.824(3) 2_454 ?
P006 K003 3.639(5) 3_455 ?
O1 K003 2.650(9) . ?
O1 K003 3.318(12) 4_445 ?
O007 K003 3.409(2) 3_445 ?
O007 K003 3.409(2) 5_545 ?
O007 K003 3.409(2) . ?
O008 K003 3.358(11) 4_444 ?
O008 K003 3.409(11) 3_455 ?
O008 K003 2.725(11) . ?
O00C K004 2.773(10) 2_454 ?
O00C K004 3.040(11) . ?
O2 K003 2.67(3) . ?
O2 K004 3.05(3) 2_454 ?
O2 O4 1.47(3) 6_544 ?
K003 O4 3.320(17) 3_455 ?
K003 O4 2.704(16) 6_544 ?
K003 O5 2.747(19) 3_455 ?
O4 O5 0.99(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
O1 Zn01 O1 109.0(3) 5_445 . ?
O1 Zn01 O1 109.0(3) 5_445 3_455 ?
O1 Zn01 O1 109.0(3) . 3_455 ?
O1 Zn01 K003 87.9(3) 5_445 6 ?
O1 Zn01 K003 42.9(3) . . ?
O1 Zn01 K003 162.9(3) 3_455 2_455 ?
O1 Zn01 K003 61.5(3) 3_455 6 ?
O1 Zn01 K003 42.9(3) 5_445 5_445 ?
O1 Zn01 K003 61.5(3) . 4_445 ?
O1 Zn01 K003 67.4(3) . 5_445 ?
O1 Zn01 K003 67.4(3) 3_455 . ?
O1 Zn01 K003 113.4(3) 3_455 5_445 ?
O1 Zn01 K003 162.9(3) . 6 ?
O1 Zn01 K003 67.4(3) 5_445 3_455 ?
O1 Zn01 K003 87.9(3) . 2_455 ?
O1 Zn01 K003 113.4(3) . 3_455 ?
O1 Zn01 K003 162.9(3) 5_445 4_445 ?
O1 Zn01 K003 42.9(3) 3_455 3_455 ?
O1 Zn01 K003 87.9(3) 3_455 4_445 ?
O1 Zn01 K003 113.4(3) 5_445 . ?
O1 Zn01 K003 61.5(3) 5_445 2_455 ?
O007 Zn01 O1 109.9(3) 2_455 3_455 ?
O007 Zn01 O1 109.9(3) 2_455 . ?
O007 Zn01 O1 109.9(3) 2_455 5_445 ?
O007 Zn01 K003 64.38(5) 2_455 2_455 ?
O007 Zn01 K003 134.75(4) 2_455 5_445 ?
O007 Zn01 K003 134.74(4) 2_455 . ?
O007 Zn01 K003 64.37(5) 2_455 6 ?
O007 Zn01 K003 134.74(4) 2_455 3_455 ?
O007 Zn01 K003 64.37(5) 2_455 4_445 ?
K003 Zn01 K003 128.64(11) . 6 ?
K003 Zn01 K003 70.369(15) 3_455 6 ?
K003 Zn01 K003 128.67(11) 3_455 4_445 ?
K003 Zn01 K003 128.67(11) 5_445 6 ?
K003 Zn01 K003 128.64(11) 5_445 4_445 ?
K003 Zn01 K003 102.68(6) 6 4_445 ?
K003 Zn01 K003 70.369(15) . 4_445 ?
K003 Zn01 K003 75.92(7) 5_445 . ?
K003 Zn01 K003 102.68(6) 2_455 4_445 ?
K003 Zn01 K003 75.92(7) 3_455 . ?
O008 Zn02 O3 116.5(6) 4_445 6_544 ?
O008 Zn02 O2 103.6(10) 4_445 . ?
O008 Zn02 K003 37.6(3) 4_445 4_445 ?
O008 Zn02 K003 60.4(3) 4_445 6_545 ?
O008 Zn02 K003 91.2(3) 4_445 3_445 ?
O008 Zn02 K003 65.9(3) 4_445 . ?
O008 Zn02 K004 116.3(3) 4_445 . ?
O008 Zn02 K004 161.8(3) 4_445 2_454 ?
O008 Zn02 O4 100.3(6) 4_445 5_435 ?
O3 Zn02 K003 48.2(4) 6_544 3_445 ?
O3 Zn02 K003 118.3(4) 6_544 6_545 ?
O3 Zn02 K003 147.6(5) 6_544 4_445 ?
O3 Zn02 K004 60.8(5) 6_544 2_454 ?
O3 Zn02 O4 101.9(7) 6_544 5_435 ?
O00C Zn02 O008 115.7(4) . 4_445 ?
O00C Zn02 O3 108.9(6) . 6_544 ?
O00C Zn02 O2 83.6(10) . . ?
O00C Zn02 K003 81.0(3) . 4_445 ?
O00C Zn02 K003 152.1(3) . 3_445 ?
O00C Zn02 K003 128.1(3) . 6_545 ?
O00C Zn02 K003 77.9(3) . . ?
O00C Zn02 K004 54.5(3) . 2_454 ?
O00C Zn02 K004 49.3(3) . . ?
O00C Zn02 O4 112.3(6) . 5_435 ?
O2 Zn02 K003 46.3(8) . . ?
O2 Zn02 K003 115.0(8) . 4_445 ?
O2 Zn02 K004 62.1(9) . 2_454 ?
O2 Zn02 K004 127.4(9) . . ?
K003 Zn02 K003 126.93(8) 3_445 4_445 ?
K003 Zn02 K003 109.40(9) 3_445 . ?
K003 Zn02 K003 68.78(4) . 4_445 ?
K003 Zn02 K003 70.83(7) 6_545 4_445 ?
K003 Zn02 K004 123.76(7) . . ?
K003 Zn02 K004 126.16(7) 3_445 . ?
K004 Zn02 K003 135.33(7) 2_454 4_445 ?
K004 Zn02 K003 96.08(8) 2_454 . ?
K004 Zn02 K003 83.34(7) . 4_445 ?
K004 Zn02 K004 70.59(3) 2_454 . ?
O4 Zn02 O2 141.4(9) 5_435 . ?
O4 Zn02 K003 66.4(5) 5_435 3_445 ?
O4 Zn02 K003 102.4(5) 5_435 4_445 ?
O4 Zn02 K003 39.9(4) 5_435 6_545 ?
O4 Zn02 K003 165.9(5) 5_435 . ?
O4 Zn02 K004 97.8(4) 5_435 2_454 ?
O4 Zn02 K004 63.8(5) 5_435 . ?
O5 Zn02 O008 118.8(7) 5_435 4_445 ?
O5 Zn02 O3 73.3(8) 5_435 6_544 ?
O5 Zn02 O00C 116.1(7) 5_435 . ?
O5 Zn02 O2 112.2(10) 5_435 . ?
O5 Zn02 K003 62.9(6) 5_435 6_545 ?
O5 Zn02 K003 155.1(6) 5_435 . ?
O5 Zn02 K003 48.5(6) 5_435 3_445 ?
O5 Zn02 K003 131.3(6) 5_435 4_445 ?
O5 Zn02 K004 78.5(6) 5_435 2_454 ?
O5 Zn02 K004 77.7(6) 5_435 . ?
O5 Zn02 O4 29.3(8) 5_435 5_435 ?
O1 P005 O3 105.0(7) . . ?
O1 P005 O2 119.6(13) . 2_455 ?
O1 P005 K003 96.4(4) . 2_455 ?
O1 P005 K003 32.9(4) . . ?
O1 P005 K003 66.3(5) . 4_445 ?
O1 P005 K004 162.0(5) . . ?
O1 P005 O5 100.4(8) . . ?
O3 P005 K003 85.1(6) . 2_455 ?
O3 P005 K003 42.8(5) . 4_445 ?
O3 P005 O5 145.3(9) . . ?
O00C P005 O1 109.4(6) . . ?
O00C P005 O3 102.8(8) . . ?
O00C P005 O2 129.0(13) . 2_455 ?
O00C P005 K003 149.5(5) . 2_455 ?
O00C P005 K003 98.7(4) . 4_445 ?
O00C P005 K003 76.6(4) . . ?
O00C P005 K004 64.4(4) . . ?
O00C P005 O5 90.4(8) . . ?
O2 P005 K003 150.8(13) 2_455 . ?
O2 P005 K003 89.1(12) 2_455 4_445 ?
O2 P005 K004 64.6(12) 2_455 . ?
O2 P005 O5 93.7(13) 2_455 . ?
K003 P005 K003 127.62(10) 2_455 . ?
K003 P005 K003 71.13(9) 4_445 . ?
K004 P005 K003 97.17(12) . 4_445 ?
K004 P005 K003 137.14(14) . . ?
O4 P005 O1 114.1(8) . . ?
O4 P005 O3 110.5(8) . . ?
O4 P005 O00C 114.0(8) . . ?
O4 P005 O2 57.9(12) . 2_455 ?
O4 P005 K003 130.7(6) . . ?
O4 P005 K003 37.6(6) . 2_455 ?
O4 P005 K003 143.3(6) . 4_445 ?
O4 P005 K004 83.3(6) . . ?
O4 P005 O5 36.0(8) . . ?
O5 P005 K003 165.7(6) . 4_445 ?
O5 P005 K003 68.8(7) . 2_455 ?
O5 P005 K003 100.7(7) . . ?
O5 P005 K004 96.7(6) . . ?
O007 P006 O008 108.5(5) 2_454 5_445 ?
O007 P006 O008 108.5(4) 2_454 3_455 ?
O007 P006 O008 108.5(5) 2_454 . ?
O007 P006 K003 62.79(9) 2_454 2_454 ?
O007 P006 K003 133.43(8) 2_454 3_455 ?
O007 P006 K003 133.43(8) 2_454 . ?
O007 P006 K003 62.78(9) 2_454 6_554 ?
O007 P006 K003 62.78(9) 2_454 4_444 ?
O007 P006 K003 133.43(8) 2_454 5_445 ?
O008 P006 O008 110.4(4) 3_455 . ?
O008 P006 O008 110.4(4) . 5_445 ?
O008 P006 O008 110.4(4) 3_455 5_445 ?
O008 P006 K003 42.8(4) 5_445 5_445 ?
O008 P006 K003 60.9(4) 5_445 2_454 ?
O008 P006 K003 160.9(4) 5_445 6_554 ?
O008 P006 K003 69.2(4) . 3_455 ?
O008 P006 K003 60.9(4) 3_455 6_554 ?
O008 P006 K003 115.8(5) 3_455 . ?
O008 P006 K003 42.8(4) 3_455 3_455 ?
O008 P006 K003 42.8(4) . . ?
O008 P006 K003 88.7(4) 5_445 4_444 ?
O008 P006 K003 69.2(4) 5_445 . ?
O008 P006 K003 88.7(4) . 6_554 ?
O008 P006 K003 115.8(5) 5_445 3_455 ?
O008 P006 K003 160.9(4) 3_455 4_444 ?
O008 P006 K003 88.7(4) 3_455 2_454 ?
O008 P006 K003 60.9(4) . 4_444 ?
O008 P006 K003 160.9(4) . 2_454 ?
O008 P006 K003 115.8(5) . 5_445 ?
O008 P006 K003 69.2(4) 3_455 5_445 ?
K003 P006 K003 77.94(13) 3_455 . ?
K003 P006 K003 129.61(12) . 2_454 ?
K003 P006 K003 77.94(13) 3_455 5_445 ?
K003 P006 K003 77.95(13) 5_445 . ?
K003 P006 K003 129.58(12) 3_455 2_454 ?
K003 P006 K003 70.643(14) 5_445 2_454 ?
Zn01 O1 K003 107.0(4) . . ?
Zn01 O1 K003 87.4(3) . 4_445 ?
P005 O1 Zn01 124.1(6) . . ?
P005 O1 K003 129.0(5) . . ?
P005 O1 K003 88.9(5) . 4_445 ?
K003 O1 K003 92.0(3) . 4_445 ?
Zn01 O007 K003 86.1(3) 2_554 5_545 ?
Zn01 O007 K003 86.1(3) 2_554 3_445 ?
Zn01 O007 K003 86.1(3) 2_554 . ?
P006 O007 Zn01 180.0 2 2_554 ?
P006 O007 K003 93.9(3) 2 5_545 ?
P006 O007 K003 93.9(3) 2 3_445 ?
P006 O007 K003 93.9(3) 2 . ?
K003 O007 K003 119.54(7) 3_445 . ?
K003 O007 K003 119.54(7) 5_545 . ?
Zn02 O008 K003 117.1(4) 4_444 . ?
Zn02 O008 K003 90.4(4) 4_444 3_455 ?
Zn02 O008 K003 82.8(3) 4_444 4_444 ?
P006 O008 Zn02 128.0(7) . 4_444 ?
P006 O008 K003 95.8(5) . 4_444 ?
P006 O008 K003 114.9(5) . . ?
P006 O008 K003 86.1(4) . 3_455 ?
P005 O3 Zn02 137.3(9) . 2_455 ?
Zn02 O00C K004 91.7(4) . 2_454 ?
Zn02 O00C K004 102.4(4) . . ?
P005 O00C Zn02 131.3(6) . . ?
P005 O00C K004 135.2(6) . 2_454 ?
P005 O00C K004 89.1(5) . . ?
K004 O00C K004 93.9(3) 2_454 . ?
Zn02 O2 K003 99.5(10) . . ?
Zn02 O2 K004 80.8(9) . 2_454 ?
P005 O2 Zn02 129.5(17) 6_544 . ?
P005 O2 K003 122.6(15) 6_544 . ?
P005 O2 K004 88.3(13) 6_544 2_454 ?
K003 O2 K004 133.0(12) . 2_454 ?
O4 O2 Zn02 170(2) 6_544 . ?
O4 O2 P005 59.7(11) 6_544 6_544 ?
O4 O2 K003 75.3(13) 6_544 . ?
O4 O2 K004 96.4(16) 6_544 2_454 ?
Zn02 K003 P005 54.27(8) 5_545 4_444 ?
O1 K003 Zn02 73.23(18) 4_444 5_545 ?
O1 K003 Zn02 105.8(3) . 5_545 ?
O1 K003 P005 158.8(3) . 4_444 ?
O1 K003 P005 24.83(16) 4_444 4_444 ?
O1 K003 O1 170.41(17) . 4_444 ?
O1 K003 O007 115.8(3) . . ?
O1 K003 O007 55.3(3) 4_444 . ?
O1 K003 O008 73.3(3) . 4_445 ?
O1 K003 O008 115.6(3) . . ?
O1 K003 O008 98.1(2) 4_444 4_445 ?
O1 K003 O008 99.9(3) 4_444 5_445 ?
O1 K003 O008 84.6(3) . 5_445 ?
O1 K003 O2 85.9(7) . . ?
O1 K003 O4 105.9(3) 4_444 3_455 ?
O1 K003 O4 101.3(4) . 6_544 ?
O1 K003 O4 75.0(4) . 3_455 ?
O1 K003 O5 88.1(4) . 3_455 ?
O007 K003 Zn02 57.51(14) . 5_545 ?
O007 K003 P005 62.29(18) . 4_444 ?
O007 K003 O008 136.8(3) . 5_445 ?
O008 K003 Zn02 64.52(18) 4_445 5_545 ?
O008 K003 Zn02 110.8(2) . 5_545 ?
O008 K003 Zn02 156.64(19) 5_445 5_545 ?
O008 K003 P005 111.4(2) 5_445 4_444 ?
O008 K003 P005 100.25(19) 4_445 4_444 ?
O008 K003 P005 71.3(2) . 4_444 ?
O008 K003 O1 73.1(3) . 4_444 ?
O008 K003 O007 128.5(3) . . ?
O008 K003 O007 42.7(3) 4_445 . ?
O008 K003 O008 138.8(3) 4_445 5_445 ?
O008 K003 O008 46.5(4) . 5_445 ?
O008 K003 O008 171.1(2) . 4_445 ?
O008 K003 O4 113.2(4) . 3_455 ?
O008 K003 O5 100.6(5) . 3_455 ?
O2 K003 P005 109.1(7) . 4_444 ?
O2 K003 O1 86.2(7) . 4_444 ?
O2 K003 O007 62.6(7) . . ?
O2 K003 O008 117.9(6) . . ?
O2 K003 O008 61.5(6) . 4_445 ?
O2 K003 O4 128.8(7) . 3_455 ?
O2 K003 O5 139.7(8) . 3_455 ?
O4 K003 Zn02 136.5(3) 6_544 5_545 ?
O4 K003 Zn02 33.8(3) 3_455 5_545 ?
O4 K003 P005 99.0(4) 6_544 4_444 ?
O4 K003 P005 83.9(3) 3_455 4_444 ?
O4 K003 O1 74.4(4) 6_544 4_444 ?
O4 K003 O007 80.3(4) 6_544 . ?
O4 K003 O007 83.7(3) 3_455 . ?
O4 K003 O008 57.8(4) 6_544 5_445 ?
O4 K003 O008 67.5(3) 3_455 4_445 ?
O4 K003 O008 139.4(3) 3_455 5_445 ?
O4 K003 O008 86.3(4) 6_544 . ?
O4 K003 O008 92.5(4) 6_544 4_445 ?
O4 K003 O4 160.0(3) 6_544 3_455 ?
O4 K003 O5 164.7(5) 6_544 3_455 ?
O5 K003 Zn02 28.1(3) 3_455 5_545 ?
O5 K003 P005 70.8(4) 3_455 4_444 ?
O5 K003 O1 94.4(4) 3_455 4_444 ?
O5 K003 O007 84.7(4) 3_455 . ?
O5 K003 O008 78.5(4) 3_455 4_445 ?
O5 K003 O008 136.0(4) 3_455 5_445 ?
O5 K003 O4 15.3(4) 3_455 3_455 ?
P005 K004 P005 99.51(12) 3_345 . ?
P005 K004 P005 99.51(12) 5_435 . ?
P005 K004 P005 99.51(12) 3_345 5_435 ?
O00C K004 P005 26.56(19) 3_345 3_345 ?
O00C K004 P005 103.4(2) 2_455 3_345 ?
O00C K004 P005 95.0(2) 3_345 5_435 ?
O00C K004 P005 26.56(19) 5_435 5_435 ?
O00C K004 P005 156.7(2) 6_545 3_345 ?
O00C K004 P005 103.4(2) 6_545 . ?
O00C K004 P005 74.4(2) . 5_435 ?
O00C K004 P005 80.9(2) 2_455 . ?
O00C K004 P005 26.56(19) . . ?
O00C K004 P005 95.0(2) . 3_345 ?
O00C K004 P005 156.7(2) 4_335 . ?
O00C K004 P005 74.4(2) 5_435 3_345 ?
O00C K004 P005 74.4(2) 3_345 . ?
O00C K004 P005 80.9(2) 6_545 5_435 ?
O00C K004 P005 95.0(2) 5_435 . ?
O00C K004 P005 103.4(2) 4_335 5_435 ?
O00C K004 P005 156.7(2) 2_455 5_435 ?
O00C K004 P005 80.9(2) 4_335 3_345 ?
O00C K004 O00C 107.4(2) 2_455 . ?
O00C K004 O00C 76.3(4) 4_335 2_455 ?
O00C K004 O00C 107.4(2) 6_545 . ?
O00C K004 O00C 68.6(3) 3_345 . ?
O00C K004 O00C 107.4(2) 4_335 3_345 ?
O00C K004 O00C 107.4(2) 6_545 5_435 ?
O00C K004 O00C 76.3(4) 6_545 2_455 ?
O00C K004 O00C 107.4(2) 4_335 5_435 ?
O00C K004 O00C 175.1(3) 6_545 3_345 ?
O00C K004 O00C 175.1(3) 2_455 5_435 ?
O00C K004 O00C 107.4(2) 2_455 3_345 ?
O00C K004 O00C 76.3(4) 6_545 4_335 ?
O00C K004 O00C 175.1(3) 4_335 . ?
O00C K004 O00C 68.6(3) . 5_435 ?
O00C K004 O00C 68.6(3) 3_345 5_435 ?
O00C K004 O2 129.7(5) 6_545 4_335 ?
O00C K004 O2 53.6(5) 5_435 6_545 ?
O00C K004 O2 97.3(6) 4_335 6_545 ?
O00C K004 O2 54.1(5) 4_335 4_335 ?
O00C K004 O2 121.7(5) 5_435 2_455 ?
O00C K004 O2 97.3(6) 2_455 4_335 ?
O00C K004 O2 121.7(5) 3_345 6_545 ?
O00C K004 O2 53.6(5) 3_345 4_335 ?
O00C K004 O2 53.6(5) . 2_455 ?
O00C K004 O2 121.7(5) . 4_335 ?
O00C K004 O2 54.1(5) 6_545 6_545 ?
O00C K004 O2 82.8(6) 5_435 4_335 ?
O00C K004 O2 129.7(5) 2_455 6_545 ?
O00C K004 O2 97.3(6) 6_545 2_455 ?
O00C K004 O2 82.8(6) . 6_545 ?
O00C K004 O2 129.7(5) 4_335 2_455 ?
O00C K004 O2 54.1(5) 2_455 2_455 ?
O00C K004 O2 82.8(6) 3_345 2_455 ?
O2 K004 P005 125.1(5) 4_335 . ?
O2 K004 P005 27.0(5) 2_455 . ?
O2 K004 P005 101.2(6) 6_545 . ?
O2 K004 O2 119.28(14) 4_335 6_545 ?
O2 K004 O2 119.28(14) 2_455 6_545 ?
Zn02 O4 K003 111.5(6) 3_345 2_455 ?
Zn02 O4 K003 79.8(5) 3_345 5_445 ?
P005 O4 Zn02 125.7(10) . 3_345 ?
P005 O4 K003 122.8(9) . 2_455 ?
P005 O4 K003 100.2(7) . 5_445 ?
O2 O4 P005 62.4(12) 2_455 . ?
O2 O4 K003 139.6(16) 2_455 5_445 ?
K003 O4 K003 91.0(4) 2_455 5_445 ?
O5 O4 Zn02 59.0(13) . 3_345 ?
O5 O4 P005 81.3(12) . . ?
O5 O4 O2 143.4(19) . 2_455 ?
O5 O4 K003 136.9(15) . 2_455 ?
O5 O4 K003 47.2(13) . 5_445 ?
Zn02 O5 K003 103.3(8) 3_345 5_445 ?
P005 O5 Zn02 135.1(12) . 3_345 ?
P005 O5 K003 121.0(9) . 5_445 ?
O4 O5 Zn02 91.7(16) . 3_345 ?
O4 O5 P005 62.7(11) . . ?
O4 O5 K003 117.5(16) . 5_445 ?

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
Zn02 O4 O5 P005 -141.4(9) 3_345 . . . ?
Zn02 O4 O5 K003 106.0(13) 3_345 . . 5_445 ?
P005 O4 O5 Zn02 141.4(9) . . . 3_345 ?
P005 O4 O5 K003 -112.7(10) . . . 5_445 ?
O1 P005 O3 Zn02 112.1(15) . . . 2_455 ?
O1 P005 O00C Zn02 55.8(10) . . . . ?
O1 P005 O00C K004 -103.8(9) . . . 2_454 ?
O1 P005 O00C K004 161.6(5) . . . . ?
O1 P005 O4 Zn02 114.9(10) . . . 3_345 ?
O1 P005 O4 O2 -111.0(16) . . . 2_455 ?
O1 P005 O4 K003 30.2(8) . . . 5_445 ?
O1 P005 O4 K003 -67.7(11) . . . 2_455 ?
O1 P005 O4 O5 73.7(16) . . . . ?
O1 P005 O5 Zn02 -179.1(15) . . . 3_345 ?
O1 P005 O5 K003 -9.8(11) . . . 5_445 ?
O1 P005 O5 O4 -117.1(15) . . . . ?
O007 P006 O008 Zn02 42.9(9) 2_454 . . 4_444 ?
O007 P006 O008 K003 130.41(13) 2_454 . . 3_455 ?
O007 P006 O008 K003 -42.4(3) 2_454 . . 4_444 ?
O007 P006 O008 K003 -134.9(4) 2_454 . . . ?
O008 Zn02 O00C P005 -3.7(11) 4_445 . . . ?
O008 Zn02 O00C K004 -103.6(5) 4_445 . . . ?
O008 Zn02 O00C K004 162.1(4) 4_445 . . 2_454 ?
O008 P006 O008 Zn02 161.7(7) 5_445 . . 4_444 ?
O008 P006 O008 Zn02 -75.9(13) 3_455 . . 4_444 ?
O008 P006 O008 K003 11.6(7) 3_455 . . 3_455 ?
O008 P006 O008 K003 106.3(3) 3_455 . . . ?
O008 P006 O008 K003 -161.2(5) 3_455 . . 4_444 ?
O008 P006 O008 K003 -110.8(5) 5_445 . . 3_455 ?
O008 P006 O008 K003 -16.1(9) 5_445 . . . ?
O008 P006 O008 K003 76.4(8) 5_445 . . 4_444 ?
O3 Zn02 O00C P005 -137.2(9) 6_544 . . . ?
O3 P005 O1 Zn01 -67.5(10) . . . . ?
O3 P005 O00C Zn02 -55.4(11) . . . . ?
O3 P005 O4 Zn02 -127.1(12) . . . 3_345 ?
O3 P005 O4 O5 -168.3(15) . . . . ?
O3 P005 O5 Zn02 -43(3) . . . 3_345 ?
O3 P005 O5 O4 20(2) . . . . ?
O00C P005 O1 Zn01 -177.3(7) . . . . ?
O00C P005 O1 K003 0.5(10) . . . . ?
O00C P005 O1 K003 -91.2(5) . . . 4_445 ?
O00C P005 O3 Zn02 -133.4(15) . . . 2_455 ?
O00C P005 O4 Zn02 -11.9(14) . . . 3_345 ?
O00C P005 O4 O2 122.2(16) . . . 2_455 ?
O00C P005 O4 K003 165.6(7) . . . 2_455 ?
O00C P005 O4 K003 -96.6(7) . . . 5_445 ?
O00C P005 O4 O5 -53.1(16) . . . . ?
O00C P005 O5 Zn02 71.0(16) . . . 3_345 ?
O00C P005 O5 K003 -119.7(10) . . . 5_445 ?
O00C P005 O5 O4 133.1(15) . . . . ?
O2 Zn02 O00C P005 -105.7(12) . . . . ?
O2 Zn02 O00C K004 154.4(9) . . . . ?
O2 Zn02 O00C K004 60.1(8) . . . 2_454 ?
O2 P005 O1 Zn01 -11.8(16) 2_455 . . . ?
O2 P005 O1 K003 166.0(13) 2_455 . . . ?
O2 P005 O1 K003 74.3(13) 2_455 . . 4_445 ?
O2 P005 O00C Zn02 -107.9(17) 2_455 . . . ?
O2 P005 O00C K004 -2.1(15) 2_455 . . . ?
O2 P005 O00C K004 92.5(16) 2_455 . . 2_454 ?
O2 P005 O4 Zn02 -134(2) 2_455 . . 3_345 ?
O2 P005 O4 K003 141.2(16) 2_455 . . 5_445 ?
O2 P005 O4 K003 43.4(16) 2_455 . . 2_455 ?
O2 P005 O4 O5 -175(2) 2_455 . . . ?
O2 P005 O5 Zn02 -58(2) 2_455 . . 3_345 ?
O2 P005 O5 K003 111.2(15) 2_455 . . 5_445 ?
O2 P005 O5 O4 4.0(19) 2_455 . . . ?
O2 O4 O5 Zn02 134(3) 2_455 . . 3_345 ?
O2 O4 O5 P005 -7(3) 2_455 . . . ?
O2 O4 O5 K003 -120(3) 2_455 . . 5_445 ?
K003 Zn02 O00C P005 -167.9(3) 3_445 . . . ?
K003 Zn02 O00C P005 10.9(8) 4_445 . . . ?
K003 Zn02 O00C P005 67.7(9) 6_545 . . . ?
K003 Zn02 O00C P005 -59.2(8) . . . . ?
K003 Zn02 O00C K004 -2.1(8) 3_445 . . 2_454 ?
K003 Zn02 O00C K004 92.2(7) 3_445 . . . ?
K003 Zn02 O00C K004 -89.0(3) 4_445 . . . ?
K003 Zn02 O00C K004 106.6(3) . . . 2_454 ?
K003 Zn02 O00C K004 -159.0(3) . . . . ?
K003 Zn02 O00C K004 -126.5(2) 6_545 . . 2_454 ?
K003 Zn02 O00C K004 176.7(3) 4_445 . . 2_454 ?
K003 Zn02 O00C K004 -32.2(4) 6_545 . . . ?
K003 P005 O1 Zn01 -86.1(7) 4_445 . . . ?
K003 P005 O1 Zn01 -177.8(14) . . . . ?
K003 P005 O1 Zn01 19.1(7) 2_455 . . . ?
K003 P005 O1 K003 91.7(7) 4_445 . . . ?
K003 P005 O1 K003 105.16(19) 2_455 . . 4_445 ?
K003 P005 O1 K003 -91.7(7) . . . 4_445 ?
K003 P005 O1 K003 -163.2(6) 2_455 . . . ?
K003 P005 O00C Zn02 -157.6(4) 2_455 . . . ?
K003 P005 O00C Zn02 -12.0(8) 4_445 . . . ?
K003 P005 O00C Zn02 56.1(7) . . . . ?
K003 P005 O00C K004 -171.6(7) 4_445 . . 2_454 ?
K003 P005 O00C K004 -51.8(9) 2_455 . . . ?
K003 P005 O00C K004 93.8(2) 4_445 . . . ?
K003 P005 O00C K004 161.9(3) . . . . ?
K003 P005 O00C K004 -103.5(8) . . . 2_454 ?
K003 P005 O00C K004 42.7(13) 2_455 . . 2_454 ?
K003 P005 O4 Zn02 -163.0(4) 4_445 . . 3_345 ?
K003 P005 O4 Zn02 -177.5(18) 2_455 . . 3_345 ?
K003 P005 O4 Zn02 80.9(12) . . . 3_345 ?
K003 P005 O4 O2 -43.4(16) 2_455 . . 2_455 ?
K003 P005 O4 O2 -145.0(15) . . . 2_455 ?
K003 P005 O4 O2 -28.9(19) 4_445 . . 2_455 ?
K003 P005 O4 K003 112.3(8) 4_445 . . 5_445 ?
K003 P005 O4 K003 -101.7(9) . . . 2_455 ?
K003 P005 O4 K003 97.8(10) 2_455 . . 5_445 ?
K003 P005 O4 K003 -3.8(9) . . . 5_445 ?
K003 P005 O4 K003 14.5(17) 4_445 . . 2_455 ?
K003 P005 O4 O5 39.6(18) . . . . ?
K003 P005 O4 O5 155.8(11) 4_445 . . . ?
K003 P005 O4 O5 141(2) 2_455 . . . ?
K003 P005 O5 Zn02 -86.2(16) 2_455 . . 3_345 ?
K003 P005 O5 Zn02 -159.0(15) 4_445 . . 3_345 ?
K003 P005 O5 Zn02 147.4(15) . . . 3_345 ?
K003 P005 O5 K003 83.1(9) 2_455 . . 5_445 ?
K003 P005 O5 K003 10(4) 4_445 . . 5_445 ?
K003 P005 O5 K003 -43.3(10) . . . 5_445 ?
K003 P005 O5 O4 -97(3) 4_445 . . . ?
K003 P005 O5 O4 -24.1(13) 2_455 . . . ?
K003 P005 O5 O4 -150.5(14) . . . . ?
K003 P006 O008 Zn02 85.4(8) 4_444 . . 4_444 ?
K003 P006 O008 Zn02 177.8(12) . . . 4_444 ?
K003 P006 O008 Zn02 -151.9(6) 5_445 . . 4_444 ?
K003 P006 O008 Zn02 -87.5(8) 3_455 . . 4_444 ?
K003 P006 O008 Zn02 102.4(15) 2_454 . . 4_444 ?
K003 P006 O008 Zn02 -17.7(8) 6_554 . . 4_444 ?
K003 P006 O008 K003 -64.4(3) 5_445 . . 3_455 ?
K003 P006 O008 K003 -170.1(13) 2_454 . . 3_455 ?
K003 P006 O008 K003 94.7(5) 3_455 . . . ?
K003 P006 O008 K003 30.3(6) 5_445 . . . ?
K003 P006 O008 K003 172.8(4) 4_444 . . 3_455 ?
K003 P006 O008 K003 122.7(2) 5_445 . . 4_444 ?
K003 P006 O008 K003 17.1(16) 2_454 . . 4_444 ?
K003 P006 O008 K003 -103.1(2) 6_554 . . 4_444 ?
K003 P006 O008 K003 69.77(16) 6_554 . . 3_455 ?
K003 P006 O008 K003 164.5(5) 6_554 . . . ?
K003 P006 O008 K003 -94.7(5) . . . 3_455 ?
K003 P006 O008 K003 -92.5(5) 4_444 . . . ?
K003 P006 O008 K003 -172.8(4) 3_455 . . 4_444 ?
K003 P006 O008 K003 -75.4(16) 2_454 . . . ?
K003 P006 O008 K003 92.5(5) . . . 4_444 ?
K003 O4 O5 Zn02 -106.0(13) 5_445 . . 3_345 ?
K003 O4 O5 Zn02 -89(2) 2_455 . . 3_345 ?
K003 O4 O5 P005 130(2) 2_455 . . . ?
K003 O4 O5 P005 112.7(10) 5_445 . . . ?
K003 O4 O5 K003 17(3) 2_455 . . 5_445 ?
K004 Zn02 O00C P005 -165.8(10) 2_454 . . . ?
K004 Zn02 O00C P005 99.9(9) . . . . ?
K004 Zn02 O00C K004 -94.3(3) . . . 2_454 ?
K004 Zn02 O00C K004 94.3(3) 2_454 . . . ?
K004 P005 O1 Zn01 -110.7(12) . . . . ?
K004 P005 O1 K003 67.0(16) . . . . ?
K004 P005 O1 K003 -24.6(14) . . . 4_445 ?
K004 P005 O00C Zn02 -105.8(8) . . . . ?
K004 P005 O00C K004 94.6(8) . . . 2_454 ?
K004 P005 O4 Zn02 -69.9(10) . . . 3_345 ?
K004 P005 O4 O2 64.2(15) . . . 2_455 ?
K004 P005 O4 K003 -154.6(5) . . . 5_445 ?
K004 P005 O4 K003 107.5(8) . . . 2_455 ?
K004 P005 O4 O5 -111.2(14) . . . . ?
K004 P005 O5 Zn02 6.8(17) . . . 3_345 ?
K004 P005 O5 K003 176.1(8) . . . 5_445 ?
K004 P005 O5 O4 68.9(14) . . . . ?
O4 Zn02 O00C P005 110.7(9) 5_435 . . . ?
O4 Zn02 O00C K004 -83.5(6) 5_435 . . 2_454 ?
O4 Zn02 O00C K004 10.8(6) 5_435 . . . ?
O4 P005 O1 Zn01 53.6(11) . . . . ?
O4 P005 O1 K003 -128.6(9) . . . . ?
O4 P005 O1 K003 139.7(7) . . . 4_445 ?
O4 P005 O3 Zn02 -11.4(18) . . . 2_455 ?
O4 P005 O00C Zn02 -175.0(9) . . . . ?
O4 P005 O00C K004 -69.2(8) . . . . ?
O4 P005 O00C K004 25.3(12) . . . 2_454 ?
O4 P005 O5 Zn02 -62.1(19) . . . 3_345 ?
O4 P005 O5 K003 107.2(17) . . . 5_445 ?
O5 Zn02 O00C P005 142.7(10) 5_435 . . . ?
O5 Zn02 O00C K004 42.8(8) 5_435 . . . ?
O5 Zn02 O00C K004 -51.5(8) 5_435 . . 2_454 ?
O5 P005 O1 Zn01 88.6(10) . . . . ?
O5 P005 O1 K003 174.7(7) . . . 4_445 ?
O5 P005 O1 K003 -93.6(10) . . . . ?
O5 P005 O3 Zn02 -23(3) . . . 2_455 ?
O5 P005 O00C Zn02 157.0(10) . . . . ?
O5 P005 O00C K004 -2.7(10) . . . 2_454 ?
O5 P005 O00C K004 -97.2(7) . . . . ?
O5 P005 O4 Zn02 41.2(13) . . . 3_345 ?
O5 P005 O4 O2 175(2) . . . 2_455 ?
O5 P005 O4 K003 -141(2) . . . 2_455 ?
O5 P005 O4 K003 -43.5(13) . . . 5_445 ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.560(7)
2 0.440(7)

