# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2026

####################################################################### 
# 
# 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_m8408_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2374016'
loop_
_audit_author_name
_audit_author_address
'liu yanan'
;henan university
China
;
_audit_update_record             
;
2026-01-12 deposited with the CCDC.	2026-02-02 downloaded from the CCDC.
;
_audit_creation_date             2026-01-04
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'O32 W10, C64 H44 Cd2 N12 O12 Ru2'
_chemical_formula_sum            'C64 H44 Cd2 N12 O44 Ru2 W10'
_chemical_formula_weight         3950.55
_chemical_melting_point          ?
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'
Cd Cd -0.8075 1.2024 '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'
Ru Ru -1.2594 0.8363 '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'

_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           64
_space_group_name_H-M_alt        'C m c e'
_space_group_name_Hall           '-C 2bc 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y+1/2, z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1, z+1/2'
'-x+1/2, y+1, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y-1/2, -z-1/2'
'x, -y-1/2, z-1/2'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y, -z-1/2'
'x+1/2, -y, z-1/2'
'-x+1/2, y+1/2, z'

_cell_length_a                   28.625(19)
_cell_length_b                   20.427(11)
_cell_length_c                   24.967(19)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     14600(16)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9985
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.722
_cell_measurement_theta_min      2.492
_shelx_estimated_absorpt_T_max   0.591
_shelx_estimated_absorpt_T_min   0.210
_exptl_absorpt_coefficient_mu    8.386
_exptl_absorpt_correction_T_max  0.0298
_exptl_absorpt_correction_T_min  0.0089
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1499 before and 0.0732 after correction.
The Ratio of minimum to maximum transmission is 0.2987.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.797
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             7152
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0650
_diffrn_reflns_av_unetI/netI     0.0314
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            62824
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.100
_diffrn_reflns_theta_max         25.100
_diffrn_reflns_theta_min         2.450
_diffrn_ambient_temperature      150.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON II'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'Helios multilayer optic'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_source            'Incoatc Ius 3.0 '
_diffrn_source_type              Microfocus
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4905
_reflns_number_total             6629
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2025/1 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.531
_refine_diff_density_min         -1.187
_refine_diff_density_rms         0.117
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     275
_refine_ls_number_reflns         6629
_refine_ls_number_restraints     84
_refine_ls_R_factor_all          0.0533
_refine_ls_R_factor_gt           0.0392
_refine_ls_restrained_S_all      1.098
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0429P)²+86.5613P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0939
_refine_ls_wR_factor_ref         0.1017
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
O1W \\sim Cd1: within 2.5A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2.5A
Uanis(N1) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C4) \\sim Ueq, Uanis(C3) \\sim
Ueq, Uanis(C1) \\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(N2)
\\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(C9) \\sim Ueq, Uanis(C8) \\sim Ueq,
Uanis(C2) \\sim Ueq, Uanis(Cd1) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
3.a Aromatic/amide H refined with riding coordinates:
 C15(H15), C13(H13), C12(H12), C4(H4), C3(H3), C2(H2), C1(H1), C7(H7),
 C10(H10), C9(H9), C8(H8)
3.b Fitted hexagon refined as free rotating group:
 N3(C15,C14,C13,C12,C11), N1(C5,C4,C3,C2,C1), C7(C6,N2,C10,C9,C8)
;
_atom_sites_solution_hydrogens   geom
_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
W1 W 0.55702(2) 0.12072(2) 0.51270(2) 0.05781(12) Uani 1 1 d . . . . .
N3 N 0.73082(17) 0.5384(3) 0.5424(2) 0.072(2) Uani 1 1 d G . . . .
C15 C 0.72716(19) 0.5768(3) 0.5881(3) 0.085(3) Uani 1 1 d G . . . .
H15 H 0.697260 0.588684 0.601451 0.102 Uiso 1 1 calc R U . . .
C14 C 0.7673(3) 0.5979(3) 0.6143(3) 0.097(4) Uani 1 1 d G . . . .
C13 C 0.8110(2) 0.5806(4) 0.5948(3) 0.108(4) Uani 1 1 d G . . . .
H13 H 0.838434 0.595037 0.612690 0.130 Uiso 1 1 calc R U . . .
C12 C 0.81468(16) 0.5422(4) 0.5490(3) 0.128(5) Uani 1 1 d G . . . .
H12 H 0.844581 0.530302 0.535690 0.154 Uiso 1 1 calc R U . . .
C11 C 0.7746(2) 0.5210(3) 0.5228(2) 0.084(3) Uani 1 1 d G . . . .
W2 W 0.55710(2) 0.03328(2) 0.40243(2) 0.06038(12) Uani 1 1 d . . . . .
W3 W 0.500000 0.17284(2) 0.40648(2) 0.07040(17) Uani 1 2 d S T P . .
N1 N 0.6251(2) 0.4502(3) 0.4578(3) 0.087(2) Uani 1 1 d G U . . .
C5 C 0.6168(3) 0.3862(3) 0.4742(3) 0.105(4) Uani 1 1 d G U . . .
C4 C 0.5853(3) 0.3473(3) 0.4461(4) 0.130(5) Uani 1 1 d G U . . .
H4 H 0.579658 0.303577 0.457286 0.156 Uiso 1 1 calc R U . . .
C3 C 0.5622(3) 0.3725(4) 0.4017(4) 0.134(5) Uani 1 1 d G U . . .
H3 H 0.540682 0.345893 0.382531 0.161 Uiso 1 1 calc R U . . .
C2 C 0.5705(3) 0.4364(5) 0.3854(3) 0.127(5) Uani 1 1 d G U . . .
H2 H 0.554675 0.453625 0.355012 0.152 Uiso 1 1 calc R U . . .
C1 C 0.6020(3) 0.4753(3) 0.4134(3) 0.108(4) Uani 1 1 d G U . . .
H1 H 0.607643 0.519043 0.402247 0.130 Uiso 1 1 calc R U . . .
Ru1 Ru 0.67578(4) 0.500000 0.500000 0.0779(4) Uani 1 2 d S T P . .
O5 O 0.500000 0.0793(3) 0.4565(3) 0.0495(17) Uani 1 2 d S T P . .
O1 O 0.500000 0.1487(3) 0.5467(3) 0.061(2) Uani 1 2 d S T P . .
O7 O 0.59198(19) 0.0761(2) 0.4574(2) 0.0643(15) Uani 1 1 d . . . . .
O9 O 0.500000 0.0039(4) 0.3703(3) 0.068(2) Uani 1 2 d S T P . .
O3 O 0.55528(18) 0.0431(2) 0.5524(2) 0.0558(13) Uani 1 1 d . . . . .
O8 O 0.5458(2) 0.1177(3) 0.3709(2) 0.0730(17) Uani 1 1 d . . . . .
O4 O 0.5461(2) 0.1910(3) 0.4592(2) 0.0722(17) Uani 1 1 d . . . . .
O2 O 0.5988(2) 0.1621(3) 0.5476(3) 0.0755(17) Uani 1 1 d . . . . .
O6 O 0.500000 0.2426(4) 0.3674(4) 0.087(3) Uani 1 2 d S T P . .
O10 O 0.5986(2) 0.0084(3) 0.3581(2) 0.0835(19) Uani 1 1 d . . . . .
C7 C 0.6373(3) 0.3070(3) 0.5451(4) 0.120(4) Uani 1 1 d G U . . .
H7 H 0.617113 0.274990 0.530066 0.144 Uiso 1 1 calc R U . . .
C6 C 0.6422(2) 0.3676(3) 0.5205(3) 0.101(4) Uani 1 1 d G U . . .
N2 N 0.6717(2) 0.4145(2) 0.5425(3) 0.094(3) Uani 1 1 d G U . . .
C10 C 0.6962(2) 0.4007(4) 0.5893(3) 0.104(4) Uani 1 1 d G U . . .
H10 H 0.716389 0.432777 0.604326 0.125 Uiso 1 1 calc R U . . .
C9 C 0.6913(3) 0.3401(4) 0.6139(3) 0.137(5) Uani 1 1 d G U . . .
H9 H 0.708040 0.330744 0.645838 0.165 Uiso 1 1 calc R U . . .
C8 C 0.6618(3) 0.2933(3) 0.5919(4) 0.120(4) Uani 1 1 d G U . . .
H8 H 0.658402 0.251850 0.608709 0.143 Uiso 1 1 calc R U . . .
O11 O 0.7951(3) 0.6684(5) 0.6825(4) 0.136(3) Uani 1 1 d . . . . .
O12 O 0.7220(4) 0.6453(6) 0.6809(5) 0.158(4) Uani 1 1 d . . . . .
C16 C 0.7617(6) 0.6389(6) 0.6646(7) 0.113(4) Uani 1 1 d . . . . .
Cd1 Cd 0.750000 0.71617(8) 0.750000 0.1727(9) Uani 1 2 d S TU P . .
O1W O 0.6982(7) 0.8030(8) 0.7250(7) 0.271(7) Uani 1 1 d . U . . .


_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 O5 2.312(5) . ?
W1 O1 1.927(4) . ?
W1 O7 1.934(6) . ?
W1 O3 1.870(5) . ?
W1 O4 1.986(6) . ?
W1 O2 1.704(6) . ?
N3 C15 1.3900 . ?
N3 C11 1.3900 . ?
N3 Ru1 2.053(5) . ?
C15 H15 0.9500 . ?
C15 C14 1.3900 . ?
C14 C13 1.3900 . ?
C14 C16 1.518(16) . ?
C13 H13 0.9500 . ?
C13 C12 1.3900 . ?
C12 H12 0.9500 . ?
C12 C11 1.3900 . ?
C11 C11 1.428(12) 4_566 ?
W2 O5 2.319(5) . ?
W2 O7 1.909(6) . ?
W2 O9 1.917(4) . ?
W2 O3 1.926(5) 4_556 ?
W2 O8 1.922(6) . ?
W2 O10 1.702(6) . ?
W3 O5 2.283(7) . ?
W3 O8 1.944(6) 12_655 ?
W3 O8 1.944(6) . ?
W3 O4 1.901(7) 12_655 ?
W3 O4 1.901(7) . ?
W3 O6 1.727(8) . ?
N1 C5 1.3900 . ?
N1 C1 1.3900 . ?
N1 Ru1 2.061(6) . ?
C5 C4 1.3900 . ?
C5 C6 1.418(10) . ?
C4 H4 0.9500 . ?
C4 C3 1.3900 . ?
C3 H3 0.9500 . ?
C3 C2 1.3900 . ?
C2 H2 0.9500 . ?
C2 C1 1.3900 . ?
C1 H1 0.9500 . ?
Ru1 N2 2.048(5) . ?
Ru1 N2 2.048(5) 4_566 ?
C7 H7 0.9500 . ?
C7 C6 1.3900 . ?
C7 C8 1.3900 . ?
C6 N2 1.3900 . ?
N2 C10 1.3900 . ?
C10 H10 0.9500 . ?
C10 C9 1.3900 . ?
C9 H9 0.9500 . ?
C9 C8 1.3900 . ?
C8 H8 0.9500 . ?
O11 C16 1.216(14) . ?
O11 Cd1 2.337(10) . ?
O12 C16 1.214(15) . ?
O12 Cd1 2.390(10) . ?
Cd1 O1W 2.394(17) . ?
Cd1 O1W 2.394(17) 7_646 ?

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 W1 O5 77.2(2) . . ?
O1 W1 O7 153.3(2) . . ?
O1 W1 O4 87.1(3) . . ?
O7 W1 O5 76.1(2) . . ?
O7 W1 O4 86.7(2) . . ?
O3 W1 O5 89.5(2) . . ?
O3 W1 O1 89.8(3) . . ?
O3 W1 O7 89.5(2) . . ?
O3 W1 O4 164.8(2) . . ?
O4 W1 O5 75.3(2) . . ?
O2 W1 O5 170.8(3) . . ?
O2 W1 O1 102.8(3) . . ?
O2 W1 O7 103.7(3) . . ?
O2 W1 O3 99.7(3) . . ?
O2 W1 O4 95.5(3) . . ?
C15 N3 C11 120.0 . . ?
C15 N3 Ru1 125.5(4) . . ?
C11 N3 Ru1 114.4(4) . . ?
N3 C15 H15 120.0 . . ?
C14 C15 N3 120.0 . . ?
C14 C15 H15 120.0 . . ?
C15 C14 C16 118.3(8) . . ?
C13 C14 C15 120.0 . . ?
C13 C14 C16 121.7(8) . . ?
C14 C13 H13 120.0 . . ?
C14 C13 C12 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C12 H12 120.0 . . ?
C13 C12 C11 120.0 . . ?
C11 C12 H12 120.0 . . ?
N3 C11 C11 115.7 . 4_566 ?
C12 C11 N3 120.0 . . ?
C12 C11 C11 124.2 . 4_566 ?
O7 W2 O5 76.4(2) . . ?
O7 W2 O9 152.9(3) . . ?
O7 W2 O3 87.9(2) . 4_556 ?
O7 W2 O8 88.4(3) . . ?
O9 W2 O5 76.7(2) . . ?
O9 W2 O3 88.2(3) . 4_556 ?
O9 W2 O8 88.1(3) . . ?
O3 W2 O5 88.2(2) 4_556 . ?
O8 W2 O5 75.9(2) . . ?
O8 W2 O3 164.1(2) . 4_556 ?
O10 W2 O5 172.7(3) . . ?
O10 W2 O7 103.8(3) . . ?
O10 W2 O9 103.3(3) . . ?
O10 W2 O3 99.1(3) . 4_556 ?
O10 W2 O8 96.8(3) . . ?
O8 W3 O5 76.4(2) 12_655 . ?
O8 W3 O5 76.4(2) . . ?
O8 W3 O8 84.9(4) 12_655 . ?
O4 W3 O5 77.6(2) 12_655 . ?
O4 W3 O5 77.6(2) . . ?
O4 W3 O8 153.9(2) 12_655 . ?
O4 W3 O8 87.7(3) . . ?
O4 W3 O8 87.7(3) 12_655 12_655 ?
O4 W3 O8 153.9(2) . 12_655 ?
O4 W3 O4 88.0(4) . 12_655 ?
O6 W3 O5 178.8(3) . . ?
O6 W3 O8 102.7(3) . 12_655 ?
O6 W3 O8 102.7(3) . . ?
O6 W3 O4 103.3(3) . 12_655 ?
O6 W3 O4 103.3(3) . . ?
C5 N1 C1 120.0 . . ?
C5 N1 Ru1 115.8(4) . . ?
C1 N1 Ru1 124.1(4) . . ?
N1 C5 C6 113.8(6) . . ?
C4 C5 N1 120.0 . . ?
C4 C5 C6 126.2(6) . . ?
C5 C4 H4 120.0 . . ?
C5 C4 C3 120.0 . . ?
C3 C4 H4 120.0 . . ?
C4 C3 H3 120.0 . . ?
C4 C3 C2 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C2 H2 120.0 . . ?
C3 C2 C1 120.0 . . ?
C1 C2 H2 120.0 . . ?
N1 C1 H1 120.0 . . ?
C2 C1 N1 120.0 . . ?
C2 C1 H1 120.0 . . ?
N3 Ru1 N3 79.8(4) 4_566 . ?
N3 Ru1 N1 95.1(3) 4_566 . ?
N3 Ru1 N1 95.1(3) . 4_566 ?
N3 Ru1 N1 172.6(2) 4_566 4_566 ?
N3 Ru1 N1 172.6(2) . . ?
N1 Ru1 N1 90.6(3) . 4_566 ?
N2 Ru1 N3 89.1(6) 4_566 . ?
N2 Ru1 N3 95.9(7) 4_566 4_566 ?
N2 Ru1 N3 89.1(2) . 4_566 ?
N2 Ru1 N3 95.9(3) . . ?
N2 Ru1 N1 96.7(3) . 4_566 ?
N2 Ru1 N1 78.7(3) . . ?
N2 Ru1 N1 78.7(7) 4_566 4_566 ?
N2 Ru1 N1 96.7(7) 4_566 . ?
N2 Ru1 N2 173.5(8) . 4_566 ?
W1 O5 W1 89.8(2) . 12_655 ?
W1 O5 W2 90.23(5) . . ?
W1 O5 W2 90.23(5) 12_655 12_655 ?
W1 O5 W2 177.4(3) 12_655 . ?
W1 O5 W2 177.4(3) . 12_655 ?
W2 O5 W2 89.6(2) 12_655 . ?
W3 O5 W1 91.47(19) . 12_655 ?
W3 O5 W1 91.47(19) . . ?
W3 O5 W2 91.2(2) . 12_655 ?
W3 O5 W2 91.2(2) . . ?
W1 O1 W1 115.8(4) . 12_655 ?
W2 O7 W1 117.3(3) . . ?
W2 O9 W2 117.0(4) 12_655 . ?
W1 O3 W2 175.0(3) . 4_556 ?
W2 O8 W3 116.5(3) . . ?
W3 O4 W1 115.7(3) . . ?
C6 C7 H7 120.0 . . ?
C6 C7 C8 120.0 . . ?
C8 C7 H7 120.0 . . ?
C7 C6 C5 123.1(6) . . ?
C7 C6 N2 120.0 . . ?
N2 C6 C5 116.8(6) . . ?
C6 N2 Ru1 114.6(4) . . ?
C10 N2 Ru1 125.4(4) . . ?
C10 N2 C6 120.0 . . ?
N2 C10 H10 120.0 . . ?
C9 C10 N2 120.0 . . ?
C9 C10 H10 120.0 . . ?
C10 C9 H9 120.0 . . ?
C10 C9 C8 120.0 . . ?
C8 C9 H9 120.0 . . ?
C7 C8 H8 120.0 . . ?
C9 C8 C7 120.0 . . ?
C9 C8 H8 120.0 . . ?
C16 O11 Cd1 92.1(10) . . ?
C16 O12 Cd1 89.6(9) . . ?
O11 C16 C14 119.7(13) . . ?
O12 C16 C14 115.8(12) . . ?
O12 C16 O11 124.1(16) . . ?
O11 Cd1 O11 130.7(5) . 7_646 ?
O11 Cd1 O12 54.0(4) 7_646 7_646 ?
O11 Cd1 O12 94.7(4) 7_646 . ?
O11 Cd1 O12 94.7(4) . 7_646 ?
O11 Cd1 O12 54.0(4) . . ?
O11 Cd1 C16 27.0(3) 7_646 7_646 ?
O11 Cd1 C16 113.5(4) . 7_646 ?
O11 Cd1 O1W 117.6(5) . . ?
O11 Cd1 O1W 98.9(6) . 7_646 ?
O11 Cd1 O1W 98.9(6) 7_646 . ?
O11 Cd1 O1W 117.6(5) 7_646 7_646 ?
O12 Cd1 O12 105.5(6) . 7_646 ?
O12 Cd1 C16 100.1(4) . 7_646 ?
O12 Cd1 C16 27.0(3) 7_646 7_646 ?
O12 Cd1 O1W 147.6(6) 7_646 . ?
O12 Cd1 O1W 93.0(5) 7_646 7_646 ?
O12 Cd1 O1W 147.6(6) . 7_646 ?
O12 Cd1 O1W 93.0(5) . . ?
O1W Cd1 C16 107.9(5) 7_646 7_646 ?
O1W Cd1 C16 124.6(6) . 7_646 ?
O1W Cd1 O1W 84.4(8) . 7_646 ?

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
N3 C15 C14 C13 0.0 . . . . ?
N3 C15 C14 C16 -179.0(8) . . . . ?
C15 N3 C11 C12 0.0 . . . . ?
C15 N3 C11 C11 177.2(10) . . . 4_566 ?
C15 C14 C13 C12 0.0 . . . . ?
C15 C14 C16 O11 -165.9(10) . . . . ?
C15 C14 C16 O12 6.3(16) . . . . ?
C14 C13 C12 C11 0.0 . . . . ?
C13 C14 C16 O11 15.0(16) . . . . ?
C13 C14 C16 O12 -172.7(11) . . . . ?
C13 C12 C11 N3 0.0 . . . . ?
C13 C12 C11 C11 -176.9(11) . . . 4_566 ?
C11 N3 C15 C14 0.0 . . . . ?
N1 C5 C4 C3 0.0 . . . . ?
N1 C5 C6 C7 176.6(4) . . . . ?
N1 C5 C6 N2 -0.6(7) . . . . ?
C5 N1 C1 C2 0.0 . . . . ?
C5 C4 C3 C2 0.0 . . . . ?
C5 C6 N2 Ru1 -4.0(6) . . . . ?
C5 C6 N2 C10 177.3(7) . . . . ?
C4 C5 C6 C7 -2.3(8) . . . . ?
C4 C5 C6 N2 -179.5(4) . . . . ?
C4 C3 C2 C1 0.0 . . . . ?
C3 C2 C1 N1 0.0 . . . . ?
C1 N1 C5 C4 0.0 . . . . ?
C1 N1 C5 C6 -179.0(7) . . . . ?
Ru1 N3 C15 C14 177.7(4) . . . . ?
Ru1 N3 C11 C12 -177.9(4) . . . . ?
Ru1 N3 C11 C11 -0.7(9) . . . 4_566 ?
Ru1 N1 C5 C4 -176.1(4) . . . . ?
Ru1 N1 C5 C6 4.9(6) . . . . ?
Ru1 N1 C1 C2 175.7(5) . . . . ?
Ru1 N2 C10 C9 -178.6(5) . . . . ?
C7 C6 N2 Ru1 178.7(4) . . . . ?
C7 C6 N2 C10 0.0 . . . . ?
C6 C5 C4 C3 178.8(8) . . . . ?
C6 C7 C8 C9 0.0 . . . . ?
C6 N2 C10 C9 0.0 . . . . ?
N2 C10 C9 C8 0.0 . . . . ?
C10 C9 C8 C7 0.0 . . . . ?
C8 C7 C6 C5 -177.1(8) . . . . ?
C8 C7 C6 N2 0.0 . . . . ?
C16 C14 C13 C12 179.0(8) . . . . ?
Cd1 O11 C16 C14 176.6(10) . . . . ?
Cd1 O11 C16 O12 5.0(17) . . . . ?
Cd1 O12 C16 C14 -176.7(9) . . . . ?
Cd1 O12 C16 O11 -4.9(17) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.300 -0.505 -0.574 7428.0 1763.4 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
