# Electronic Supplementary Material (ESI) 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. 
# 
#######################################################################

data_ltx-1
_database_code_depnum_ccdc_archive 'CCDC 2339653'
loop_
_audit_author_name
_audit_author_address
'lingtong Xu'
;Nanjing Tech University
China
;
_audit_update_record             
;
2024-03-12 deposited with the CCDC.	2024-04-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H48 Co4 N24 O44 P2 W12'
_chemical_formula_weight         4096.90

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_H-M_alt        'R -3 :H'
_space_group_name_Hall           '-R 3'

_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'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   17.545(2)
_cell_length_b                   17.545(2)
_cell_length_c                   23.684(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     6313.6(17)
_cell_formula_units_Z            3
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    5329
_cell_measurement_theta_min      2.1585
_cell_measurement_theta_max      26.0795

_exptl_crystal_description       block
_exptl_crystal_colour            pink
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.233
_exptl_crystal_F_000             5538
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    17.223
_shelx_estimated_absorpt_T_min   0.182
_shelx_estimated_absorpt_T_max   0.278
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.182
_exptl_absorpt_correction_T_max  0.278
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker Apex2 CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            16640
_diffrn_reflns_av_unetI/netI     0.0719
_diffrn_reflns_av_R_equivalents  0.1418
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.592
_diffrn_reflns_theta_max         27.330
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.944
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.944
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.944
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             3006
_reflns_number_gt                2288
_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       'APEX2 (Bruker, 2005)'
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_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)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3006
_refine_ls_number_parameters     284
_refine_ls_number_restraints     142
_refine_ls_R_factor_all          0.0708
_refine_ls_R_factor_gt           0.0520
_refine_ls_wR_factor_ref         0.1692
_refine_ls_wR_factor_gt          0.1530
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_restrained_S_all      1.054
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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
W1 W 0.43547(3) 0.64069(3) 0.54443(2) 0.0487(2) Uani 1 1 d . . . . .
W2 W 0.56354(3) 0.73900(4) 0.66706(2) 0.0540(2) Uani 1 1 d . . . . .
Co1 Co 1.000000 1.000000 0.6332(2) 0.0539(14) Uani 0.5 3 d S T P . .
Co2 Co 1.1788(2) 1.1205(3) 0.53963(17) 0.0647(10) Uani 0.5 1 d . . P . .
P2 P 1.000000 1.000000 0.500000 0.0419(15) Uani 1 6 d S TU P . .
P1 P 0.333333 0.666667 0.666667 0.0226(11) Uani 1 6 d S T P . .
O7 O 0.6735(7) 0.7733(8) 0.6668(5) 0.085(3) Uani 1 1 d . . . . .
O6 O 0.4851(7) 0.6283(7) 0.4861(4) 0.081(3) Uani 1 1 d . . . . .
O5 O 0.3137(6) 0.5723(6) 0.5245(6) 0.086(4) Uani 1 1 d . . . . .
O4 O 0.5327(8) 0.7127(6) 0.5900(4) 0.086(4) Uani 1 1 d . . . . .
O3 O 0.5140(8) 0.6176(7) 0.6793(4) 0.089(4) Uani 1 1 d . . . . .
O2 O 0.4204(8) 0.5430(7) 0.5893(5) 0.094(4) Uani 1 1 d . . . . .
O1 O 0.4068(9) 0.6484(8) 0.6431(6) 0.032(3) Uani 0.5 1 d . . P . .
O8 O 0.333333 0.666667 0.7278(10) 0.038(5) Uani 0.5 3 d S T P . .
O9 O 1.0897(13) 1.0087(14) 0.5055(9) 0.077(4) Uani 0.5 1 d . U P A .
O10 O 0.997(4) 0.960(3) 0.559(2) 0.056(6) Uani 0.1667 1 d . U P A .
N3 N 0.7965(9) 0.9917(8) 0.7077(6) 0.076(4) Uani 1 1 d . . . . .
N2 N 0.7333(8) 1.0296(9) 0.7871(5) 0.078(4) Uani 1 1 d D U . . .
N4 N 0.8620(13) 1.0384(10) 0.6269(7) 0.105(5) Uani 1 1 d . . . . .
C4 C 0.7260(13) 0.9560(12) 0.7553(8) 0.099(6) Uani 1 1 d . . . . .
C7 C 0.923(2) 1.058(2) 0.6627(15) 0.068(5) Uani 0.515(12) 1 d . U P A 1
N1 N 0.6888(14) 1.1187(16) 0.8366(9) 0.064(5) Uani 0.515(12) 1 d . U P A 1
C6 C 0.855(2) 0.977(2) 0.7069(13) 0.064(5) Uani 0.515(12) 1 d . U P A 1
C2 C 0.775(2) 1.160(3) 0.8447(19) 0.095(7) Uani 0.515(12) 1 d . U P A 1
C5 C 0.785(2) 1.034(2) 0.6665(14) 0.072(6) Uani 0.515(12) 1 d . U P A 1
C3 C 0.659(2) 1.047(2) 0.8034(16) 0.085(6) Uani 0.515(12) 1 d . U P A 1
C1 C 0.799(2) 1.093(3) 0.8152(17) 0.094(6) Uani 0.515(12) 1 d . U P A 1
C3A C 0.752(2) 1.1046(13) 0.7598(9) 0.086(6) Uani 0.485(12) 1 d D U P A 2
C2A C 0.734(3) 1.097(2) 0.8547(12) 0.093(6) Uani 0.485(12) 1 d D U P A 2
C6A C 0.891(2) 1.029(2) 0.7110(15) 0.068(5) Uani 0.485(12) 1 d . U P A 2
C7A C 0.783(2) 0.988(2) 0.6564(15) 0.067(5) Uani 0.485(12) 1 d . U P A 2
N1A N 0.7558(18) 1.1493(17) 0.8077(9) 0.070(5) Uani 0.485(12) 1 d D U P A 2
C5A C 0.899(2) 1.011(2) 0.6604(16) 0.063(5) Uani 0.485(12) 1 d . U P A 2
C1A C 0.738(2) 1.025(2) 0.8387(18) 0.088(6) Uani 0.485(12) 1 d D U P A 2


_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
W1 O6 1.703(9) . ?
W1 O4 1.875(10) . ?
W1 O5 1.899(10) 2_665 ?
W1 O5 1.914(9) . ?
W1 O2 1.918(10) . ?
W1 O1 2.408(13) . ?
W1 O8 2.515(14) 13_566 ?
W2 O7 1.710(10) . ?
W2 O3 1.878(11) . ?
W2 O4 1.894(10) . ?
W2 O2 1.897(11) 15_556 ?
W2 O3 1.929(11) 15_556 ?
W2 O1 2.458(13) . ?
W2 O1 2.500(12) 15_556 ?
Co1 O10 1.89(5) 3_675 ?
Co1 O10 1.89(5) . ?
Co1 O10 1.89(5) 2_765 ?
Co1 C5A 1.99(3) 3_675 ?
Co1 C5A 1.99(3) 2_765 ?
Co1 C5A 1.99(3) . ?
Co1 C7 2.17(3) . ?
Co1 C7 2.17(3) 3_675 ?
Co1 C7 2.17(3) 2_765 ?
Co2 O9 1.86(2) 12_656 ?
Co2 O9 1.97(2) . ?
Co2 N1 2.01(2) 8_764 ?
Co2 N1A 2.02(3) 15_656 ?
Co2 N4 2.092(18) 3_675 ?
Co2 O10 2.18(5) 2_765 ?
Co2 C2 2.27(5) 15_656 ?
P2 O9 1.51(2) . ?
P2 O9 1.51(2) 12_656 ?
P2 O9 1.51(2) 3_675 ?
P2 O9 1.51(2) 10_776 ?
P2 O9 1.51(2) 2_765 ?
P2 O9 1.51(2) 11_566 ?
P2 O10 1.54(5) 12_656 ?
P2 O10 1.54(5) 3_675 ?
P2 O10 1.54(5) 11_566 ?
P2 O10 1.54(5) 2_765 ?
P2 O10 1.54(5) . ?
P2 O10 1.54(5) 10_776 ?
P1 O8 1.45(2) . ?
P1 O8 1.45(2) 13_566 ?
P1 O1 1.578(12) 14_456 ?
P1 O1 1.578(12) 2_665 ?
P1 O1 1.578(13) 3_565 ?
P1 O1 1.578(13) 15_556 ?
P1 O1 1.578(12) . ?
P1 O1 1.578(12) 13_566 ?
O1 O8 1.724(18) 13_566 ?
O9 O9 1.53(2) 11_566 ?
O9 O9 1.53(2) 12_656 ?
O9 O10 1.74(6) 12_656 ?
O9 O10 1.73(6) 2_765 ?
O10 O10 1.16(8) 3_675 ?
O10 O10 1.16(8) 2_765 ?
N3 C6 1.18(3) . ?
N3 C7A 1.23(3) . ?
N3 C5 1.30(3) . ?
N3 C6A 1.45(4) . ?
N3 C4 1.56(2) . ?
N2 C1A 1.23(4) . ?
N2 C1 1.32(4) . ?
N2 C3A 1.350(10) . ?
N2 C4 1.44(3) . ?
N2 C3 1.53(4) . ?
N4 C5A 1.26(4) . ?
N4 C7 1.27(3) . ?
N4 C7A 1.40(4) . ?
N4 C5 1.61(4) . ?
C7 C6 1.69(6) . ?
N1 C2 1.32(4) . ?
N1 C3 1.34(4) . ?
C2 C1 1.59(5) . ?
C3A N1A 1.364(10) . ?
C2A C1A 1.360(10) . ?
C2A N1A 1.366(10) . ?
C6A C5A 1.26(5) . ?
C7A C5A 1.86(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
O6 W1 O4 101.7(6) . . ?
O6 W1 O5 101.3(6) . 2_665 ?
O4 W1 O5 88.9(5) . 2_665 ?
O6 W1 O5 101.6(5) . . ?
O4 W1 O5 156.7(6) . . ?
O5 W1 O5 86.8(6) 2_665 . ?
O6 W1 O2 100.7(6) . . ?
O4 W1 O2 87.5(4) . . ?
O5 W1 O2 158.0(6) 2_665 . ?
O5 W1 O2 88.0(5) . . ?
O6 W1 O1 158.2(5) . . ?
O4 W1 O1 63.2(5) . . ?
O5 W1 O1 94.3(5) 2_665 . ?
O5 W1 O1 94.4(5) . . ?
O2 W1 O1 64.7(5) . . ?
O6 W1 O8 160.9(6) . 13_566 ?
O4 W1 O8 92.1(5) . 13_566 ?
O5 W1 O8 65.5(4) 2_665 13_566 ?
O5 W1 O8 65.3(5) . 13_566 ?
O2 W1 O8 92.9(6) . 13_566 ?
O1 W1 O8 40.9(5) . 13_566 ?
O7 W2 O3 101.6(6) . . ?
O7 W2 O4 102.6(6) . . ?
O3 W2 O4 87.7(4) . . ?
O7 W2 O2 101.8(6) . 15_556 ?
O3 W2 O2 89.6(5) . 15_556 ?
O4 W2 O2 155.5(6) . 15_556 ?
O7 W2 O3 102.3(6) . 15_556 ?
O3 W2 O3 156.2(8) . 15_556 ?
O4 W2 O3 86.8(5) . 15_556 ?
O2 W2 O3 86.0(4) 15_556 15_556 ?
O7 W2 O1 158.0(5) . . ?
O3 W2 O1 64.4(5) . . ?
O4 W2 O1 61.9(5) . . ?
O2 W2 O1 95.2(5) 15_556 . ?
O3 W2 O1 92.6(5) 15_556 . ?
O7 W2 O1 158.1(5) . 15_556 ?
O3 W2 O1 94.3(5) . 15_556 ?
O4 W2 O1 93.0(5) . 15_556 ?
O2 W2 O1 63.0(5) 15_556 15_556 ?
O3 W2 O1 62.9(5) 15_556 15_556 ?
O1 W2 O1 43.8(5) . 15_556 ?
O10 Co1 O10 36(2) 3_675 . ?
O10 Co1 O10 36(2) 3_675 2_765 ?
O10 Co1 O10 36(2) . 2_765 ?
O10 Co1 C5A 118(2) 3_675 3_675 ?
O10 Co1 C5A 117.7(19) . 3_675 ?
O10 Co1 C5A 88.1(17) 2_765 3_675 ?
O10 Co1 C5A 117.7(19) 3_675 2_765 ?
O10 Co1 C5A 88.1(17) . 2_765 ?
O10 Co1 C5A 118.3(19) 2_765 2_765 ?
C5A Co1 C5A 110.1(10) 3_675 2_765 ?
O10 Co1 C5A 88.1(17) 3_675 . ?
O10 Co1 C5A 118(2) . . ?
O10 Co1 C5A 117.7(19) 2_765 . ?
C5A Co1 C5A 110.1(10) 3_675 . ?
C5A Co1 C5A 110.1(10) 2_765 . ?
O10 Co1 C7 89.3(17) 3_675 . ?
O10 Co1 C7 124.1(18) . . ?
O10 Co1 C7 111(2) 2_765 . ?
O10 Co1 C7 124.1(18) 3_675 3_675 ?
O10 Co1 C7 111(2) . 3_675 ?
O10 Co1 C7 89.3(17) 2_765 3_675 ?
C7 Co1 C7 110.2(9) . 3_675 ?
O10 Co1 C7 111(2) 3_675 2_765 ?
O10 Co1 C7 89.3(17) . 2_765 ?
O10 Co1 C7 124.1(18) 2_765 2_765 ?
C5A Co1 C7 125.9(12) 3_675 2_765 ?
C5A Co1 C7 19.2(12) 2_765 2_765 ?
C5A Co1 C7 92.7(12) . 2_765 ?
C7 Co1 C7 110.2(9) . 2_765 ?
C7 Co1 C7 110.2(9) 3_675 2_765 ?
O9 Co2 O9 46.9(9) 12_656 . ?
O9 Co2 N1 79.8(9) 12_656 8_764 ?
O9 Co2 N1 121.8(10) . 8_764 ?
O9 Co2 N1A 126.2(10) 12_656 15_656 ?
O9 Co2 N1A 90.7(10) . 15_656 ?
N1 Co2 N1A 109.0(10) 8_764 15_656 ?
O9 Co2 N4 121.9(9) 12_656 3_675 ?
O9 Co2 N4 119.2(9) . 3_675 ?
N1 Co2 N4 107.1(8) 8_764 3_675 ?
O9 Co2 O10 50.3(15) 12_656 2_765 ?
O9 Co2 O10 49.1(15) . 2_765 ?
N1 Co2 O10 116.9(16) 8_764 2_765 ?
N4 Co2 O10 78.4(15) 3_675 2_765 ?
O9 Co2 C2 109.2(12) 12_656 15_656 ?
O9 Co2 C2 87.8(12) . 15_656 ?
N1 Co2 C2 90.5(11) 8_764 15_656 ?
N1A Co2 C2 24.0(10) 15_656 15_656 ?
N4 Co2 C2 127.9(11) 3_675 15_656 ?
O10 Co2 C2 136.2(17) 2_765 15_656 ?
O9 P2 O9 60.7(3) . 12_656 ?
O9 P2 O9 119.3(3) . 3_675 ?
O9 P2 O9 180.0 12_656 3_675 ?
O9 P2 O9 180.0 . 10_776 ?
O9 P2 O9 119.3(3) 12_656 10_776 ?
O9 P2 O9 60.7(3) 3_675 10_776 ?
O9 P2 O9 119.3(3) . 2_765 ?
O9 P2 O9 60.7(3) 12_656 2_765 ?
O9 P2 O9 119.3(3) 3_675 2_765 ?
O9 P2 O9 60.7(3) 10_776 2_765 ?
O9 P2 O9 60.7(3) . 11_566 ?
O9 P2 O9 119.3(3) 12_656 11_566 ?
O9 P2 O9 60.7(3) 3_675 11_566 ?
O9 P2 O9 119.3(3) 10_776 11_566 ?
O9 P2 O9 180.0 2_765 11_566 ?
O9 P2 O10 70(2) . 12_656 ?
O9 P2 O10 77(2) 12_656 12_656 ?
O9 P2 O10 103(2) 3_675 12_656 ?
O9 P2 O10 110(2) 10_776 12_656 ?
O9 P2 O10 111(2) 2_765 12_656 ?
O9 P2 O10 69(2) 11_566 12_656 ?
O9 P2 O10 110(2) . 3_675 ?
O9 P2 O10 103(2) 12_656 3_675 ?
O9 P2 O10 77(2) 3_675 3_675 ?
O9 P2 O10 70(2) 10_776 3_675 ?
O9 P2 O10 69(2) 2_765 3_675 ?
O9 P2 O10 111(2) 11_566 3_675 ?
O10 P2 O10 180.00(2) 12_656 3_675 ?
O9 P2 O10 111(2) . 11_566 ?
O9 P2 O10 110(2) 12_656 11_566 ?
O9 P2 O10 70(2) 3_675 11_566 ?
O9 P2 O10 69(2) 10_776 11_566 ?
O9 P2 O10 103(2) 2_765 11_566 ?
O9 P2 O10 77(2) 11_566 11_566 ?
O10 P2 O10 44(3) 12_656 11_566 ?
O10 P2 O10 136(3) 3_675 11_566 ?
O9 P2 O10 69(2) . 2_765 ?
O9 P2 O10 70(2) 12_656 2_765 ?
O9 P2 O10 110(2) 3_675 2_765 ?
O9 P2 O10 111(2) 10_776 2_765 ?
O9 P2 O10 77(2) 2_765 2_765 ?
O9 P2 O10 103(2) 11_566 2_765 ?
O10 P2 O10 136(3) 12_656 2_765 ?
O10 P2 O10 44(3) 3_675 2_765 ?
O10 P2 O10 180.00(2) 11_566 2_765 ?
O9 P2 O10 77(2) . . ?
O9 P2 O10 111(2) 12_656 . ?
O9 P2 O10 69(2) 3_675 . ?
O9 P2 O10 103(2) 10_776 . ?
O9 P2 O10 110(2) 2_765 . ?
O9 P2 O10 70(2) 11_566 . ?
O10 P2 O10 136(3) 12_656 . ?
O10 P2 O10 44(3) 3_675 . ?
O10 P2 O10 136(3) 11_566 . ?
O10 P2 O10 44(3) 2_765 . ?
O9 P2 O10 103(2) . 10_776 ?
O9 P2 O10 69(2) 12_656 10_776 ?
O9 P2 O10 111(2) 3_675 10_776 ?
O9 P2 O10 77(2) 10_776 10_776 ?
O9 P2 O10 70(2) 2_765 10_776 ?
O9 P2 O10 110(2) 11_566 10_776 ?
O10 P2 O10 44(3) 12_656 10_776 ?
O10 P2 O10 136(3) 3_675 10_776 ?
O10 P2 O10 44(3) 11_566 10_776 ?
O10 P2 O10 136(3) 2_765 10_776 ?
O10 P2 O10 179.997(17) . 10_776 ?
O8 P1 O8 180.0 . 13_566 ?
O8 P1 O1 69.3(5) . 14_456 ?
O8 P1 O1 110.7(5) 13_566 14_456 ?
O8 P1 O1 110.7(5) . 2_665 ?
O8 P1 O1 69.3(5) 13_566 2_665 ?
O1 P1 O1 180.0(10) 14_456 2_665 ?
O8 P1 O1 110.7(5) . 3_565 ?
O8 P1 O1 69.3(5) 13_566 3_565 ?
O1 P1 O1 71.8(5) 14_456 3_565 ?
O1 P1 O1 108.2(5) 2_665 3_565 ?
O8 P1 O1 69.3(5) . 15_556 ?
O8 P1 O1 110.7(5) 13_566 15_556 ?
O1 P1 O1 108.2(5) 14_456 15_556 ?
O1 P1 O1 71.8(5) 2_665 15_556 ?
O1 P1 O1 180.0 3_565 15_556 ?
O8 P1 O1 110.7(5) . . ?
O8 P1 O1 69.3(5) 13_566 . ?
O1 P1 O1 71.8(5) 14_456 . ?
O1 P1 O1 108.2(5) 2_665 . ?
O1 P1 O1 108.2(5) 3_565 . ?
O1 P1 O1 71.8(5) 15_556 . ?
O8 P1 O1 69.3(5) . 13_566 ?
O8 P1 O1 110.7(5) 13_566 13_566 ?
O1 P1 O1 108.2(5) 14_456 13_566 ?
O1 P1 O1 71.8(5) 2_665 13_566 ?
O1 P1 O1 71.8(5) 3_565 13_566 ?
O1 P1 O1 108.2(5) 15_556 13_566 ?
O1 P1 O1 180.0 . 13_566 ?
W1 O5 W1 138.4(6) 3_565 . ?
W1 O4 W2 140.5(6) . . ?
W2 O3 W2 140.0(7) . 14_456 ?
W2 O2 W1 138.7(8) 14_456 . ?
P1 O1 O8 51.8(8) . 13_566 ?
P1 O1 W1 124.7(7) . . ?
O8 O1 W1 72.9(8) 13_566 . ?
P1 O1 W2 123.4(7) . . ?
O8 O1 W2 134.2(7) 13_566 . ?
W1 O1 W2 93.6(5) . . ?
P1 O1 W2 120.9(7) . 14_456 ?
O8 O1 W2 131.0(7) 13_566 14_456 ?
W1 O1 W2 93.3(4) . 14_456 ?
W2 O1 W2 92.4(4) . 14_456 ?
P1 O8 O1 58.9(8) . 14_456 ?
P1 O8 O1 58.9(8) . 15_556 ?
O1 O8 O1 95.7(11) 14_456 15_556 ?
P1 O8 O1 58.9(8) . 13_566 ?
O1 O8 O1 95.7(11) 14_456 13_566 ?
O1 O8 O1 95.7(11) 15_556 13_566 ?
P1 O8 W1 125.1(5) . 14_456 ?
O1 O8 W1 66.2(5) 14_456 14_456 ?
O1 O8 W1 130.5(4) 15_556 14_456 ?
O1 O8 W1 130.2(5) 13_566 14_456 ?
P1 O8 W1 125.1(5) . 15_556 ?
O1 O8 W1 130.2(5) 14_456 15_556 ?
O1 O8 W1 66.2(5) 15_556 15_556 ?
O1 O8 W1 130.5(4) 13_566 15_556 ?
W1 O8 W1 90.2(6) 14_456 15_556 ?
P1 O8 W1 125.1(5) . 13_566 ?
O1 O8 W1 130.5(4) 14_456 13_566 ?
O1 O8 W1 130.2(5) 15_556 13_566 ?
O1 O8 W1 66.2(5) 13_566 13_566 ?
W1 O8 W1 90.2(6) 14_456 13_566 ?
W1 O8 W1 90.2(6) 15_556 13_566 ?
P2 O9 O9 59.63(13) . 11_566 ?
P2 O9 O9 59.63(13) . 12_656 ?
O9 O9 O9 117.1(10) 11_566 12_656 ?
P2 O9 O10 56.0(17) . 12_656 ?
O9 O9 O10 64(2) 11_566 12_656 ?
O9 O9 O10 70(2) 12_656 12_656 ?
P2 O9 O10 56.1(18) . 2_765 ?
O9 O9 O10 94(2) 11_566 2_765 ?
O9 O9 O10 64(2) 12_656 2_765 ?
O10 O9 O10 110(3) 12_656 2_765 ?
P2 O9 Co2 120.3(12) . 11_566 ?
O9 O9 Co2 70.4(14) 11_566 11_566 ?
O9 O9 Co2 133(2) 12_656 11_566 ?
O10 O9 Co2 74.4(18) 12_656 11_566 ?
O10 O9 Co2 160(2) 2_765 11_566 ?
P2 O9 Co2 113.9(13) . . ?
O9 O9 Co2 165(2) 11_566 . ?
O9 O9 Co2 62.8(14) 12_656 . ?
O10 O9 Co2 126(2) 12_656 . ?
O10 O9 Co2 71.7(17) 2_765 . ?
Co2 O9 Co2 121.9(11) 11_566 . ?
O10 O10 O10 60.00(5) 3_675 2_765 ?
O10 O10 P2 67.9(15) 3_675 . ?
O10 O10 P2 67.9(15) 2_765 . ?
O10 O10 O9 118(2) 3_675 11_566 ?
O10 O10 O9 110(3) 2_765 11_566 ?
P2 O10 O9 54.4(19) . 11_566 ?
O10 O10 O9 79(4) 3_675 3_675 ?
O10 O10 O9 118(3) 2_765 3_675 ?
P2 O10 O9 54.5(19) . 3_675 ?
O9 O10 O9 52.1(16) 11_566 3_675 ?
O10 O10 Co1 72.2(12) 3_675 . ?
O10 O10 Co1 72.2(12) 2_765 . ?
P2 O10 Co1 134(3) . . ?
O9 O10 Co1 169(3) 11_566 . ?
O9 O10 Co1 137(3) 3_675 . ?
O10 O10 Co2 130(6) 3_675 3_675 ?
O10 O10 Co2 164(4) 2_765 3_675 ?
P2 O10 Co2 103(3) . 3_675 ?
O9 O10 Co2 55.3(15) 11_566 3_675 ?
O9 O10 Co2 59.2(15) 3_675 3_675 ?
Co1 O10 Co2 121(2) . 3_675 ?
C6 N3 C5 121(3) . . ?
C7A N3 C6A 103(2) . . ?
C6 N3 C4 122(2) . . ?
C7A N3 C4 127(2) . . ?
C5 N3 C4 117(2) . . ?
C6A N3 C4 130.0(18) . . ?
C1A N2 C3A 123(2) . . ?
C1A N2 C4 116.1(19) . . ?
C1 N2 C4 132(2) . . ?
C3A N2 C4 119.4(15) . . ?
C1 N2 C3 100(2) . . ?
C4 N2 C3 127.5(19) . . ?
C5A N4 C7A 89(2) . . ?
C7 N4 C5 101(2) . . ?
C7 N4 Co2 125(2) . 2_765 ?
C5 N4 Co2 129.4(15) . 2_765 ?
N2 C4 N3 108.7(13) . . ?
N4 C7 C6 92(3) . . ?
N4 C7 Co1 107(2) . . ?
C6 C7 Co1 98.5(19) . . ?
C2 N1 C3 114(3) . . ?
C2 N1 Co2 124(2) . 6_575 ?
C3 N1 Co2 122(2) . 6_575 ?
N3 C6 C7 99(2) . . ?
N1 C2 C1 101(3) . . ?
N1 C2 Co2 89(2) . 14_466 ?
C1 C2 Co2 119(3) . 14_466 ?
N3 C5 N4 96(2) . . ?
N1 C3 N2 111(2) . . ?
N2 C1 C2 113(3) . . ?
N2 C3A N1A 95(2) . . ?
C1A C2A N1A 105(3) . . ?
C5A C6A N3 94(3) . . ?
N3 C7A N4 111(3) . . ?
N3 C7A C5A 77(2) . . ?
N4 C7A C5A 42.4(16) . . ?
C3A N1A C2A 112(3) . . ?
C3A N1A Co2 113.7(15) . 14_466 ?
C2A N1A Co2 134(2) . 14_466 ?
N4 C5A C6A 112(3) . . ?
N4 C5A C7A 48.9(18) . . ?
C6A C5A C7A 82(3) . . ?
N4 C5A Co1 119(3) . . ?
C6A C5A Co1 122(3) . . ?
C7A C5A Co1 153(2) . . ?
N2 C1A C2A 101(3) . . ?

_refine_diff_density_max         1.848
_refine_diff_density_min         -2.263
_refine_diff_density_rms         0.280

