# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2022

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

data_1
_database_code_depnum_ccdc_archive 'CCDC 2108020'
loop_
_audit_author_name
_audit_author_address
'Li lei'
;Bohai university
China
;
_audit_update_record             
;
2021-11-17 deposited with the CCDC.	2022-01-20 downloaded from the CCDC.
;
_audit_creation_date             2021-11-17
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C42 H36 Co2 N12 O48 Si W12, 1[5H2O]'
_chemical_formula_sum            'C42 H36 Co2 N12 O48 Si W12'
_chemical_formula_weight         3828.98
_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'
Co Co 0.3494 0.9721 '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'
Si Si 0.0817 0.0704 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.8442(7)
_cell_length_b                   12.6156(8)
_cell_length_c                   15.1270(10)
_cell_angle_alpha                100.9280(10)
_cell_angle_beta                 111.9070(10)
_cell_angle_gamma                99.1860(10)
_cell_volume                     1992.1(2)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    2877
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      25.127
_cell_measurement_theta_min      1.628
_shelx_estimated_absorpt_T_max   0.125
_shelx_estimated_absorpt_T_min   0.100
_exptl_absorpt_coefficient_mu    17.761
_exptl_absorpt_correction_T_max  0.87
_exptl_absorpt_correction_T_min  0.86
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Krause et al., 2015) was used for absorption correction.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    3.192
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1712
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0394
_diffrn_reflns_av_unetI/netI     0.0881
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            14695
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.294
_diffrn_reflns_theta_min         1.508
_diffrn_ambient_temperature      273.15
_diffrn_detector                 'charge-coupled device (CCD) area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'Bruker APEX II'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX II Quazar'
_diffrn_measurement_method       '0.5° ω and 0.5° φ scans'
_diffrn_radiation_collimation    'focusing mirrors'
_diffrn_radiation_detector       'Bruker APEX II'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_xray_symbol    K-L~3~
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.2
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           40.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6691
_reflns_number_total             9799
_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+ Ver. 2016.5-0 (Bruker-AXS, 2016)'
_computing_data_collection       'APEX3 Ver. 2016.5-0 (Bruker-AXS, 2016)'
_computing_data_reduction        'SAINT+ Ver. 2016.5-0 (Bruker-AXS, 2016)'
_computing_molecular_graphics    'OLEX2 (Dolomanov et al., 2009)'
_computing_publication_material  'OLEX2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2015b)'
_computing_structure_solution    'XT (Sheldrick, 2015a)'
_refine_diff_density_max         2.744
_refine_diff_density_min         -4.520
_refine_diff_density_rms         0.497
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     548
_refine_ls_number_reflns         9799
_refine_ls_number_restraints     86
_refine_ls_R_factor_all          0.0983
_refine_ls_R_factor_gt           0.0645
_refine_ls_restrained_S_all      1.068
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0949P)²+18.7866P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1658
_refine_ls_wR_factor_ref         0.1883
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Rigid bond restraints
 Si1, O23
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 Si1, O6
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Uiso/Uaniso restraints and constraints
O9 \\sim W2 \\sim W5: within 2A with sigma of 0.002 and sigma for terminal
atoms of 0.001 within 2A
W2 \\sim O24 \\sim W4: within 2A with sigma of 0.02 and sigma for terminal
atoms of 0.01 within 2A
O19 \\sim W4 \\sim W6: within 2A with sigma of 0.02 and sigma for terminal
atoms of 0.01 within 2A
O24 \\sim W4 \\sim W2: within 2A with sigma of 0.002 and sigma for terminal
atoms of 0.001 within 2A
O17 \\sim W5 \\sim W3: within 2A with sigma of 0.002 and sigma for terminal
atoms of 0.001 within 2A
Uanis(O1) \\sim Ueq, Uanis(O9) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(O6) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O21) \\sim Ueq, Uanis(O13) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C10) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O16) \\sim Ueq, Uanis(O26) \\sim Ueq, Uanis(O21) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
4. Others
 Fixed Sof: O21(0.5) O11(0.5) O23(0.5) O6(0.5)
5.a Rotating group:
 O1W(H1WA,H1WB)
5.b Aromatic/amide H refined with riding coordinates:
 N1(H1), N6(H6), N3(H3), C4(H4), C8(H8), C12(H12), C16(H16), C20(H20),
 C11(H11), C3(H3A), C15(H15), N5(H5), C2(H2), C17(H17), C19(H19), C5(H5A)
;
_atom_sites_solution_hydrogens   mixed
_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 1.21098(5) 0.75238(5) 0.66192(5) 0.02790(16) Uani 1 1 d . . . . .
W4 W 0.88614(6) 0.71267(5) 0.60120(5) 0.03305(18) Uani 1 1 d . U . . .
W6 W 1.32487(5) 0.54311(6) 0.55695(5) 0.03358(18) Uani 1 1 d . . . . .
W3 W 1.05831(6) 0.56149(7) 0.75367(5) 0.0431(2) Uani 1 1 d . U . . .
W2 W 0.81990(7) 0.64191(6) 0.34761(6) 0.0502(3) Uani 1 1 d . U . . .
W5 W 1.14556(7) 0.69374(6) 0.40903(7) 0.0477(2) Uani 1 1 d . U . . .
Co1 Co 0.59949(19) 0.78644(18) 0.19926(14) 0.0293(5) Uani 1 1 d . . . . .
Si1 Si 1.000000 0.500000 0.500000 0.0186(11) Uani 1 2 d S U P . .
O2 O 0.4541(11) 0.6453(11) 0.1896(9) 0.041(3) Uani 1 1 d . . . . .
N2 N 0.5709(12) -0.3066(11) 0.0608(10) 0.030(3) Uani 1 1 d . . . . .
O3 O 1.1847(11) 0.6792(13) 0.7543(10) 0.054(4) Uani 1 1 d . . . . .
O4 O 0.4644(11) -0.1453(10) 0.1060(8) 0.039(3) Uani 1 1 d . . . . .
N1 N 0.3207(13) -0.1778(12) -0.0496(9) 0.037(3) Uani 1 1 d . . . . .
H1 H 0.287057 -0.224125 -0.107579 0.044 Uiso 1 1 calc R U . . .
N6 N 0.3396(14) 0.5863(12) 0.2705(12) 0.046(4) Uani 1 1 d . . . . .
H6 H 0.323729 0.601630 0.321855 0.055 Uiso 1 1 calc R U . . .
O5 O 0.7355(11) 0.7095(10) 0.2721(8) 0.041(3) Uani 1 1 d . . . . .
O10 O 1.0931(13) 0.5953(13) 0.8745(10) 0.059(4) Uani 1 1 d . . . . .
C1 C 0.2648(16) -0.0875(14) -0.0373(12) 0.035(4) Uani 1 1 d . . . . .
N3 N 0.5347(13) -0.4223(12) -0.0830(11) 0.040(3) Uani 1 1 d . . . . .
H3 H 0.543303 -0.472684 -0.125358 0.048 Uiso 1 1 calc R U . . .
O1W O 0.7398(13) 0.9197(10) 0.2217(10) 0.050(3) Uani 1 1 d . . . . .
H1WA H 0.798200 0.860209 0.211537 0.075 Uiso 1 1 d R U . . .
H1WB H 0.800449 0.995630 0.239001 0.075 Uiso 1 1 d R U . . .
C4 C 0.4487(17) -0.3609(14) -0.1021(12) 0.039(4) Uani 1 1 d . . . . .
H4 H 0.386049 -0.366826 -0.163745 0.046 Uiso 1 1 calc R U . . .
N4 N 0.5797(13) 0.8397(12) 0.3281(10) 0.037(3) Uani 1 1 d . . . . .
O14 O -0.0134(14) 0.1693(13) -0.1050(12) 0.078(5) Uani 1 1 d . . . . .
C6 C 0.4711(14) -0.2889(14) -0.0144(12) 0.032(3) Uani 1 1 d . . . . .
O16 O 1.3109(13) 0.8736(11) 0.7421(12) 0.072(5) Uani 1 1 d . U . . .
C8 C 0.6065(15) -0.3872(16) 0.0191(12) 0.040(4) Uani 1 1 d . . . . .
H8 H 0.671100 -0.417219 0.052950 0.048 Uiso 1 1 calc R U . . .
O18 O 1.1939(17) 0.7806(14) 0.5392(11) 0.075(5) Uani 1 1 d . . . . .
C10 C 0.1414(14) 0.2864(14) 0.0454(13) 0.033(3) Uani 1 1 d . U . . .
O20 O 0.9460(12) 0.6474(14) 0.7094(11) 0.061(4) Uani 1 1 d . . . . .
C12 C 0.0794(14) -0.0209(15) -0.0889(14) 0.042(4) Uani 1 1 d . . . . .
H12 H -0.006113 -0.034277 -0.127924 0.051 Uiso 1 1 calc R U . . .
C14 C 0.2682(16) 0.4847(14) 0.1934(14) 0.039(4) Uani 1 1 d . . . . .
C16 C 0.2777(16) 0.1041(15) 0.0241(13) 0.039(4) Uani 1 1 d . . . . .
H16 H 0.325212 0.175260 0.063748 0.046 Uiso 1 1 calc R U . . .
O22 O 1.0548(12) 0.7892(15) 0.6376(11) 0.067(5) Uani 1 1 d . . . . .
C18 C 0.1484(15) 0.0867(16) -0.0313(14) 0.042(4) Uani 1 1 d . . . . .
C20 C 0.3358(17) 0.0187(14) 0.0210(13) 0.040(4) Uani 1 1 d . . . . .
H20 H 0.421945 0.031850 0.057734 0.048 Uiso 1 1 calc R U . . .
C21 C 0.4182(13) -0.1996(13) 0.0168(10) 0.027(3) Uani 1 1 d . . . . .
C11 C 0.1976(17) 0.4865(16) 0.1009(14) 0.043(4) Uani 1 1 d . . . . .
H11 H 0.190678 0.554338 0.086537 0.051 Uiso 1 1 calc R U . . .
O24 O 0.8499(11) 0.7320(10) 0.4749(9) 0.0458(11) Uani 1 1 d . U . . .
C3 C 0.2047(15) 0.2884(15) 0.1481(12) 0.039(4) Uani 1 1 d . . . . .
H3A H 0.203401 0.221708 0.165832 0.047 Uiso 1 1 calc R U . . .
C13 C 0.0822(16) 0.1783(15) -0.0337(14) 0.044(4) Uani 1 1 d . . . . .
O26 O 1.4783(12) 0.5662(15) 0.5838(11) 0.073(5) Uani 1 1 d . U . . .
C7 C 0.5007(15) 0.7595(15) 0.3469(13) 0.039(4) Uani 1 1 d . . . . .
C15 C 0.1341(15) 0.3862(15) 0.0258(12) 0.039(4) Uani 1 1 d . . . . .
H15 H 0.086344 0.388248 -0.038229 0.046 Uiso 1 1 calc R U . . .
N5 N 0.6005(15) 0.8944(14) 0.4825(11) 0.049(4) Uani 1 1 d . . . . .
H5 H 0.625797 0.935768 0.541873 0.059 Uiso 1 1 calc R U . . .
O13 O 1.1709(18) 0.4716(17) 0.7490(17) 0.105(6) Uani 1 1 d . U . . .
O7 O 1.3222(18) 0.6670(14) 0.6502(12) 0.077(5) Uani 1 1 d . . . . .
C2 C 0.1361(16) -0.1073(17) -0.0887(14) 0.048(5) Uani 1 1 d . . . . .
H2 H 0.087749 -0.179758 -0.123355 0.058 Uiso 1 1 calc R U . . .
O15 O 0.8347(15) 0.8121(13) 0.6514(16) 0.082(6) Uani 1 1 d . . . . .
C17 C 0.2655(16) 0.3861(15) 0.2187(13) 0.039(4) Uani 1 1 d . . . . .
H17 H 0.305636 0.386382 0.284664 0.047 Uiso 1 1 calc R U . . .
O8 O 1.2760(16) 0.6196(13) 0.4575(10) 0.064(5) Uani 1 1 d . . . . .
C9 C 0.4301(13) 0.6568(13) 0.2632(11) 0.029(3) Uani 1 1 d . . . . .
O17 O 0.9265(11) 0.4343(11) 0.7076(9) 0.0527(15) Uani 1 1 d . U . . .
O9 O 0.9846(11) 0.7238(10) 0.3732(11) 0.0538(11) Uani 1 1 d . U . . .
C19 C 0.5177(18) 0.7926(16) 0.4413(14) 0.046(4) Uani 1 1 d . . . . .
H19 H 0.479622 0.752872 0.472994 0.055 Uiso 1 1 calc R U . . .
O19 O 0.7378(16) 0.5925(12) 0.5461(10) 0.082(6) Uani 1 1 d . U . . .
O1 O 1.3054(16) 0.4603(12) 0.6463(10) 0.074(5) Uani 1 1 d . U . . .
O21 O 1.0162(16) 0.4502(14) 0.6025(12) 0.016(4) Uani 0.5 1 d . U P . .
C5 C 0.6345(19) 0.9171(15) 0.4120(14) 0.049(5) Uani 1 1 d . . . . .
H5A H 0.692262 0.982317 0.421929 0.059 Uiso 1 1 calc R U . . .
O11 O 0.9661(17) 0.3977(16) 0.4075(15) 0.025(4) Uani 0.5 1 d . . P . .
O23 O 0.8811(15) 0.5556(15) 0.4855(13) 0.019(4) Uani 0.5 1 d . U P . .
O6 O 1.1282(16) 0.5922(15) 0.5318(13) 0.018(3) Uani 0.5 1 d . U P . .
O25 O 1.2129(15) 0.7809(11) 0.3639(11) 0.058(4) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W1 O3 1.904(13) . ?
W1 O16 1.691(13) . ?
W1 O18 1.900(13) . ?
W1 O22 1.898(14) . ?
W1 O7 1.866(14) . ?
W1 O11 2.329(18) 2_766 ?
W1 O6 2.311(18) . ?
W4 O20 1.921(12) . ?
W4 O22 1.894(14) . ?
W4 O24 1.868(12) . ?
W4 O15 1.658(15) . ?
W4 O19 1.912(14) . ?
W4 O11 2.43(2) 2_766 ?
W4 O23 2.36(2) . ?
W6 O26 1.669(13) . ?
W6 O7 1.909(16) . ?
W6 O8 1.899(12) . ?
W6 O19 1.904(15) 2_766 ?
W6 O1 1.914(13) . ?
W6 O23 2.339(16) 2_766 ?
W6 O6 2.417(18) . ?
W3 O3 1.929(14) . ?
W3 O10 1.668(13) . ?
W3 O20 1.861(13) . ?
W3 O13 1.896(19) . ?
W3 O17 1.860(13) . ?
W3 O21 2.271(17) . ?
W3 O11 2.51(2) 2_766 ?
W2 O5 1.680(10) . ?
W2 O24 1.913(13) . ?
W2 O13 1.89(2) 2_766 ?
W2 O9 1.914(13) . ?
W2 O1 1.847(14) 2_766 ?
W2 O21 2.376(17) 2_766 ?
W2 O23 2.459(16) . ?
W5 O18 1.883(16) . ?
W5 O8 1.917(13) . ?
W5 O17 1.951(12) 2_766 ?
W5 O9 1.900(13) . ?
W5 O21 2.349(18) 2_766 ?
W5 O6 2.497(17) . ?
W5 O25 1.650(14) . ?
Co1 O2 2.212(12) . ?
Co1 N2 2.071(14) 1_565 ?
Co1 O4 2.123(10) 1_565 ?
Co1 O5 2.081(11) . ?
Co1 O1W 2.043(13) . ?
Co1 N4 2.050(15) . ?
Si1 O21 1.738(17) . ?
Si1 O21 1.738(17) 2_766 ?
Si1 O11 1.59(2) 2_766 ?
Si1 O11 1.59(2) . ?
Si1 O23 1.633(19) . ?
Si1 O23 1.633(19) 2_766 ?
Si1 O6 1.603(17) . ?
Si1 O6 1.603(17) 2_766 ?
O2 C9 1.236(19) . ?
N2 C6 1.385(18) . ?
N2 C8 1.30(2) . ?
O4 C21 1.253(18) . ?
N1 H1 0.8600 . ?
N1 C1 1.42(2) . ?
N1 C21 1.326(17) . ?
N6 H6 0.8600 . ?
N6 C14 1.44(2) . ?
N6 C9 1.33(2) . ?
C1 C20 1.39(2) . ?
C1 C2 1.38(2) . ?
N3 H3 0.8600 . ?
N3 C4 1.36(2) . ?
N3 C8 1.40(2) . ?
O1W H1WA 1.1253 . ?
O1W H1WB 1.0234 . ?
C4 H4 0.9300 . ?
C4 C6 1.36(2) . ?
N4 C7 1.41(2) . ?
N4 C5 1.30(2) . ?
O14 C13 1.21(2) . ?
C6 C21 1.46(2) . ?
C8 H8 0.9300 . ?
C10 C3 1.44(2) . ?
C10 C13 1.49(2) . ?
C10 C15 1.36(2) . ?
C12 H12 0.9300 . ?
C12 C18 1.39(2) . ?
C12 C2 1.37(2) . ?
C14 C11 1.34(2) . ?
C14 C17 1.37(2) . ?
C16 H16 0.9300 . ?
C16 C18 1.40(2) . ?
C16 C20 1.37(2) . ?
C18 C13 1.50(3) . ?
C20 H20 0.9300 . ?
C11 H11 0.9300 . ?
C11 C15 1.40(2) . ?
C3 H3A 0.9300 . ?
C3 C17 1.35(2) . ?
C7 C9 1.49(2) . ?
C7 C19 1.34(3) . ?
C15 H15 0.9300 . ?
N5 H5 0.8600 . ?
N5 C19 1.36(2) . ?
N5 C5 1.33(2) . ?
C2 H2 0.9300 . ?
C17 H17 0.9300 . ?
C19 H19 0.9300 . ?
C5 H5A 0.9300 . ?

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
O3 W1 O11 65.8(7) . 2_766 ?
O3 W1 O6 94.6(7) . . ?
O16 W1 O3 99.0(8) . . ?
O16 W1 O18 100.7(9) . . ?
O16 W1 O22 100.1(8) . . ?
O16 W1 O7 101.7(8) . . ?
O16 W1 O11 157.2(9) . 2_766 ?
O16 W1 O6 159.9(8) . . ?
O18 W1 O3 160.2(8) . . ?
O18 W1 O22 86.5(6) . . ?
O18 W1 O11 94.8(8) . 2_766 ?
O18 W1 O6 67.0(7) . . ?
O22 W1 O3 88.1(5) . . ?
O22 W1 O11 64.1(7) . 2_766 ?
O22 W1 O6 95.0(7) . . ?
O7 W1 O3 89.6(6) . . ?
O7 W1 O18 88.3(6) . . ?
O7 W1 O22 158.2(9) . . ?
O7 W1 O11 95.3(8) . 2_766 ?
O7 W1 O6 63.5(8) . . ?
O6 W1 O11 42.9(7) . 2_766 ?
O20 W4 O11 65.5(6) . 2_766 ?
O20 W4 O23 92.7(7) . . ?
O22 W4 O20 88.5(6) . . ?
O22 W4 O19 159.1(8) . . ?
O22 W4 O11 62.0(7) . 2_766 ?
O22 W4 O23 96.6(7) . . ?
O24 W4 O20 157.7(6) . . ?
O24 W4 O22 87.6(6) . . ?
O24 W4 O19 89.3(5) . . ?
O24 W4 O11 93.5(6) . 2_766 ?
O24 W4 O23 66.0(5) . . ?
O15 W4 O20 99.9(9) . . ?
O15 W4 O22 101.1(8) . . ?
O15 W4 O24 102.4(8) . . ?
O15 W4 O19 99.7(9) . . ?
O15 W4 O11 156.5(8) . 2_766 ?
O15 W4 O23 158.5(8) . . ?
O19 W4 O20 86.7(6) . . ?
O19 W4 O11 97.7(8) . 2_766 ?
O19 W4 O23 63.4(8) . . ?
O23 W4 O11 45.0(6) . 2_766 ?
O26 W6 O7 101.4(8) . . ?
O26 W6 O8 99.4(8) . . ?
O26 W6 O19 100.2(8) . 2_766 ?
O26 W6 O1 103.3(9) . . ?
O26 W6 O23 159.0(8) . 2_766 ?
O26 W6 O6 156.2(7) . . ?
O7 W6 O1 84.5(7) . . ?
O7 W6 O23 94.8(8) . 2_766 ?
O7 W6 O6 60.7(7) . . ?
O8 W6 O7 89.5(6) . . ?
O8 W6 O19 88.0(6) . 2_766 ?
O8 W6 O1 157.2(8) . . ?
O8 W6 O23 94.0(7) . 2_766 ?
O8 W6 O6 67.0(6) . . ?
O19 W6 O7 158.4(9) 2_766 . ?
O19 W6 O1 89.5(6) 2_766 . ?
O19 W6 O23 64.0(8) 2_766 2_766 ?
O19 W6 O6 98.7(7) 2_766 . ?
O1 W6 O23 64.8(6) . 2_766 ?
O1 W6 O6 91.0(7) . . ?
O23 W6 O6 44.8(6) 2_766 . ?
O3 W3 O21 96.2(6) . . ?
O3 W3 O11 61.6(6) . 2_766 ?
O10 W3 O3 98.4(7) . . ?
O10 W3 O20 101.2(7) . . ?
O10 W3 O13 100.6(9) . . ?
O10 W3 O17 101.3(7) . . ?
O10 W3 O21 157.4(7) . . ?
O10 W3 O11 154.7(7) . 2_766 ?
O20 W3 O3 86.3(6) . . ?
O20 W3 O13 157.5(9) . . ?
O20 W3 O21 96.9(7) . . ?
O20 W3 O11 64.4(6) . 2_766 ?
O13 W3 O3 84.9(8) . . ?
O13 W3 O21 63.6(8) . . ?
O13 W3 O11 93.3(9) . 2_766 ?
O17 W3 O3 160.3(6) . . ?
O17 W3 O20 91.0(6) . . ?
O17 W3 O13 90.3(7) . . ?
O17 W3 O21 64.7(6) . . ?
O17 W3 O11 99.7(6) . 2_766 ?
O21 W3 O11 47.5(6) . 2_766 ?
O5 W2 O24 101.6(6) . . ?
O5 W2 O13 98.6(8) . 2_766 ?
O5 W2 O9 98.5(6) . . ?
O5 W2 O1 101.5(6) . 2_766 ?
O5 W2 O21 151.5(6) . 2_766 ?
O5 W2 O23 156.7(6) . . ?
O24 W2 O21 98.8(5) . 2_766 ?
O24 W2 O23 63.2(6) . . ?
O13 W2 O24 159.6(8) 2_766 . ?
O13 W2 O9 89.5(8) 2_766 . ?
O13 W2 O21 61.5(7) 2_766 2_766 ?
O13 W2 O23 98.0(9) 2_766 . ?
O9 W2 O24 85.5(6) . . ?
O9 W2 O21 63.5(6) . 2_766 ?
O9 W2 O23 97.8(6) . . ?
O1 W2 O24 89.5(7) 2_766 . ?
O1 W2 O13 88.5(9) 2_766 2_766 ?
O1 W2 O9 160.0(6) 2_766 . ?
O1 W2 O21 98.3(7) 2_766 2_766 ?
O1 W2 O23 62.9(6) 2_766 . ?
O21 W2 O23 51.7(6) 2_766 . ?
O18 W5 O8 89.6(6) . . ?
O18 W5 O17 160.5(7) . 2_766 ?
O18 W5 O9 89.3(7) . . ?
O18 W5 O21 100.0(7) . 2_766 ?
O18 W5 O6 63.0(6) . . ?
O8 W5 O17 84.9(6) . 2_766 ?
O8 W5 O21 94.8(7) . 2_766 ?
O8 W5 O6 65.0(6) . . ?
O17 W5 O21 61.9(6) 2_766 2_766 ?
O17 W5 O6 97.8(6) 2_766 . ?
O9 W5 O8 158.5(6) . . ?
O9 W5 O17 89.0(6) . 2_766 ?
O9 W5 O21 64.3(6) . 2_766 ?
O9 W5 O6 95.6(6) . . ?
O21 W5 O6 48.9(6) 2_766 . ?
O25 W5 O18 101.7(8) . . ?
O25 W5 O8 100.0(7) . . ?
O25 W5 O17 97.7(7) . 2_766 ?
O25 W5 O9 101.2(7) . . ?
O25 W5 O21 153.7(7) . 2_766 ?
O25 W5 O6 157.2(7) . . ?
N2 Co1 O2 84.3(5) 1_565 . ?
N2 Co1 O4 79.1(5) 1_565 1_565 ?
N2 Co1 O5 92.8(5) 1_565 . ?
O4 Co1 O2 92.9(5) 1_565 . ?
O5 Co1 O2 88.4(5) . . ?
O5 Co1 O4 171.6(5) . 1_565 ?
O1W Co1 O2 174.8(5) . . ?
O1W Co1 N2 100.3(6) . 1_565 ?
O1W Co1 O4 90.2(5) . 1_565 ?
O1W Co1 O5 89.1(5) . . ?
O1W Co1 N4 97.6(6) . . ?
N4 Co1 O2 77.8(5) . . ?
N4 Co1 N2 161.9(6) . 1_565 ?
N4 Co1 O4 99.1(5) . 1_565 ?
N4 Co1 O5 89.3(5) . . ?
O21 Si1 O21 180.0 . 2_766 ?
O11 Si1 O21 108.9(9) 2_766 2_766 ?
O11 Si1 O21 71.1(9) 2_766 . ?
O11 Si1 O21 108.9(9) . . ?
O11 Si1 O21 71.1(9) . 2_766 ?
O11 Si1 O11 180.0 2_766 . ?
O11 Si1 O23 110.6(9) 2_766 2_766 ?
O11 Si1 O23 69.4(9) 2_766 . ?
O11 Si1 O23 110.6(9) . . ?
O11 Si1 O23 69.4(9) . 2_766 ?
O11 Si1 O6 115.8(9) 2_766 2_766 ?
O11 Si1 O6 115.8(9) . . ?
O11 Si1 O6 64.2(9) 2_766 . ?
O11 Si1 O6 64.2(9) . 2_766 ?
O23 Si1 O21 102.5(8) 2_766 2_766 ?
O23 Si1 O21 77.5(8) . 2_766 ?
O23 Si1 O21 77.5(8) 2_766 . ?
O23 Si1 O21 102.5(8) . . ?
O23 Si1 O23 180.0 . 2_766 ?
O6 Si1 O21 106.1(8) . . ?
O6 Si1 O21 73.9(8) 2_766 . ?
O6 Si1 O21 73.9(8) . 2_766 ?
O6 Si1 O21 106.1(8) 2_766 2_766 ?
O6 Si1 O23 111.9(9) 2_766 2_766 ?
O6 Si1 O23 68.1(9) 2_766 . ?
O6 Si1 O23 68.1(9) . 2_766 ?
O6 Si1 O23 111.9(9) . . ?
O6 Si1 O6 180.0(16) 2_766 . ?
C9 O2 Co1 113.8(10) . . ?
C6 N2 Co1 112.1(11) . 1_545 ?
C8 N2 Co1 141.0(10) . 1_545 ?
C8 N2 C6 106.3(13) . . ?
W1 O3 W3 137.3(7) . . ?
C21 O4 Co1 112.8(10) . 1_545 ?
C1 N1 H1 115.8 . . ?
C21 N1 H1 115.8 . . ?
C21 N1 C1 128.3(13) . . ?
C14 N6 H6 119.7 . . ?
C9 N6 H6 119.7 . . ?
C9 N6 C14 120.6(16) . . ?
W2 O5 Co1 164.1(8) . . ?
C20 C1 N1 121.9(15) . . ?
C20 C1 C2 120.1(16) . . ?
C2 C1 N1 117.9(15) . . ?
C4 N3 H3 126.9 . . ?
C4 N3 C8 106.2(16) . . ?
C8 N3 H3 126.9 . . ?
Co1 O1W H1WA 88.9 . . ?
Co1 O1W H1WB 168.4 . . ?
H1WA O1W H1WB 102.2 . . ?
N3 C4 H4 126.3 . . ?
N3 C4 C6 107.4(14) . . ?
C6 C4 H4 126.3 . . ?
C7 N4 Co1 114.5(12) . . ?
C5 N4 Co1 140.5(14) . . ?
C5 N4 C7 103.2(16) . . ?
N2 C6 C21 115.0(14) . . ?
C4 C6 N2 109.2(14) . . ?
C4 C6 C21 135.8(14) . . ?
N2 C8 N3 110.9(14) . . ?
N2 C8 H8 124.5 . . ?
N3 C8 H8 124.5 . . ?
W5 O18 W1 136.2(9) . . ?
C3 C10 C13 120.8(15) . . ?
C15 C10 C3 116.6(16) . . ?
C15 C10 C13 122.4(16) . . ?
W3 O20 W4 138.6(8) . . ?
C18 C12 H12 119.6 . . ?
C2 C12 H12 119.6 . . ?
C2 C12 C18 120.7(15) . . ?
C11 C14 N6 121.2(16) . . ?
C11 C14 C17 120.5(17) . . ?
C17 C14 N6 118.0(17) . . ?
C18 C16 H16 119.3 . . ?
C20 C16 H16 119.3 . . ?
C20 C16 C18 121.5(17) . . ?
W4 O22 W1 137.3(10) . . ?
C12 C18 C16 118.0(16) . . ?
C12 C18 C13 118.8(14) . . ?
C16 C18 C13 123.2(16) . . ?
C1 C20 H20 120.4 . . ?
C16 C20 C1 119.2(16) . . ?
C16 C20 H20 120.4 . . ?
O4 C21 N1 120.8(15) . . ?
O4 C21 C6 119.7(12) . . ?
N1 C21 C6 119.5(13) . . ?
C14 C11 H11 120.0 . . ?
C14 C11 C15 120.1(17) . . ?
C15 C11 H11 120.0 . . ?
W4 O24 W2 136.8(7) . . ?
C10 C3 H3A 119.6 . . ?
C17 C3 C10 120.8(16) . . ?
C17 C3 H3A 119.6 . . ?
O14 C13 C10 119.5(17) . . ?
O14 C13 C18 119.7(17) . . ?
C18 C13 C10 120.4(14) . . ?
N4 C7 C9 114.7(15) . . ?
C19 C7 N4 109.2(16) . . ?
C19 C7 C9 135.8(16) . . ?
C10 C15 C11 121.0(16) . . ?
C10 C15 H15 119.5 . . ?
C11 C15 H15 119.5 . . ?
C19 N5 H5 127.1 . . ?
C5 N5 H5 127.1 . . ?
C5 N5 C19 105.8(16) . . ?
W2 O13 W3 136.4(12) 2_766 . ?
W1 O7 W6 138.4(11) . . ?
C1 C2 H2 119.8 . . ?
C12 C2 C1 120.3(17) . . ?
C12 C2 H2 119.8 . . ?
C14 C17 H17 120.0 . . ?
C3 C17 C14 120.1(17) . . ?
C3 C17 H17 120.0 . . ?
W6 O8 W5 135.6(8) . . ?
O2 C9 N6 124.2(15) . . ?
O2 C9 C7 118.5(14) . . ?
N6 C9 C7 117.2(15) . . ?
W3 O17 W5 134.3(8) . 2_766 ?
W5 O9 W2 135.5(7) . . ?
C7 C19 N5 107.7(17) . . ?
C7 C19 H19 126.1 . . ?
N5 C19 H19 126.1 . . ?
W6 O19 W4 134.8(12) 2_766 . ?
W2 O1 W6 137.9(8) 2_766 . ?
W3 O21 W2 98.2(6) . 2_766 ?
W3 O21 W5 98.9(7) . 2_766 ?
W5 O21 W2 96.6(6) 2_766 2_766 ?
Si1 O21 W3 123.4(9) . . ?
Si1 O21 W2 115.2(9) . 2_766 ?
Si1 O21 W5 119.3(8) . 2_766 ?
N4 C5 N5 114.0(16) . . ?
N4 C5 H5A 123.0 . . ?
N5 C5 H5A 123.0 . . ?
W1 O11 W4 95.8(7) 2_766 2_766 ?
W1 O11 W3 95.1(7) 2_766 2_766 ?
W4 O11 W3 91.5(7) 2_766 2_766 ?
Si1 O11 W1 126.4(10) . 2_766 ?
Si1 O11 W4 122.0(10) . 2_766 ?
Si1 O11 W3 117.9(10) . 2_766 ?
W4 O23 W2 93.7(6) . . ?
W6 O23 W4 97.2(7) 2_766 . ?
W6 O23 W2 94.0(6) 2_766 . ?
Si1 O23 W4 123.6(9) . . ?
Si1 O23 W6 125.0(9) . 2_766 ?
Si1 O23 W2 115.6(9) . . ?
W1 O6 W6 96.5(6) . . ?
W1 O6 W5 93.7(6) . . ?
W6 O6 W5 91.9(6) . . ?
Si1 O6 W1 126.5(10) . . ?
Si1 O6 W6 122.1(9) . . ?
Si1 O6 W5 117.8(8) . . ?
Si1 O6 O11 57.4(9) . 2_766 ?
Si1 O6 O23 56.7(8) . 2_766 ?
O11 O6 W1 69.1(9) 2_766 . ?
O11 O6 W6 137.7(11) 2_766 . ?
O11 O6 W5 127.4(11) 2_766 . ?
O11 O6 O23 97.9(12) 2_766 2_766 ?
O23 O6 W1 137.5(10) 2_766 . ?
O23 O6 W6 65.3(8) 2_766 . ?
O23 O6 W5 123.4(11) 2_766 . ?

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
Co1 O2 C9 N6 175.0(13) . . . . ?
Co1 O2 C9 C7 -1.0(18) . . . . ?
Co1 N2 C6 C4 -173.6(11) 1_545 . . . ?
Co1 N2 C6 C21 7.7(17) 1_545 . . . ?
Co1 N2 C8 N3 171.5(13) 1_545 . . . ?
Co1 O4 C21 N1 170.9(12) 1_545 . . . ?
Co1 O4 C21 C6 -8.4(18) 1_545 . . . ?
Co1 N4 C7 C9 -9.0(18) . . . . ?
Co1 N4 C7 C19 165.5(13) . . . . ?
Co1 N4 C5 N5 -161.8(15) . . . . ?
N2 C6 C21 O4 1(2) . . . . ?
N2 C6 C21 N1 -178.8(14) . . . . ?
O3 W1 O18 W5 -27(3) . . . . ?
O3 W1 O22 W4 -53.6(12) . . . . ?
O3 W1 O7 W6 105.4(12) . . . . ?
O3 W3 O20 W4 57.5(14) . . . . ?
O3 W3 O13 W2 -105.4(18) . . . 2_766 ?
O3 W3 O17 W5 20(2) . . . 2_766 ?
N1 C1 C20 C16 175.1(16) . . . . ?
N1 C1 C2 C12 -172.3(18) . . . . ?
N6 C14 C11 C15 176.7(16) . . . . ?
N6 C14 C17 C3 -176.9(16) . . . . ?
O10 W3 O20 W4 155.4(13) . . . . ?
O10 W3 O13 W2 157.0(17) . . . 2_766 ?
O10 W3 O17 W5 -157.0(10) . . . 2_766 ?
C1 N1 C21 O4 9(3) . . . . ?
C1 N1 C21 C6 -172.1(16) . . . . ?
N3 C4 C6 N2 -1(2) . . . . ?
N3 C4 C6 C21 177.3(18) . . . . ?
C4 N3 C8 N2 -2(2) . . . . ?
C4 C6 C21 O4 -177.7(19) . . . . ?
C4 C6 C21 N1 3(3) . . . . ?
N4 C7 C9 O2 7(2) . . . . ?
N4 C7 C9 N6 -169.6(15) . . . . ?
N4 C7 C19 N5 3(2) . . . . ?
C6 N2 C8 N3 1.5(19) . . . . ?
O16 W1 O18 W5 158.5(13) . . . . ?
O16 W1 O22 W4 -152.4(12) . . . . ?
O16 W1 O7 W6 -155.5(13) . . . . ?
C8 N2 C6 C4 -0.3(19) . . . . ?
C8 N2 C6 C21 -179.0(14) . . . . ?
C8 N3 C4 C6 1.8(19) . . . . ?
O18 W1 O22 W4 107.3(13) . . . . ?
O18 W1 O7 W6 -54.9(13) . . . . ?
C10 C3 C17 C14 0(3) . . . . ?
O20 W4 O22 W1 52.8(12) . . . . ?
O20 W4 O24 W2 24(2) . . . . ?
O20 W3 O13 W2 -38(3) . . . 2_766 ?
O20 W3 O17 W5 101.4(10) . . . 2_766 ?
C12 C18 C13 O14 -24(3) . . . . ?
C12 C18 C13 C10 163.2(17) . . . . ?
C14 N6 C9 O2 5(3) . . . . ?
C14 N6 C9 C7 -179.2(15) . . . . ?
C14 C11 C15 C10 1(3) . . . . ?
C16 C18 C13 O14 154(2) . . . . ?
C16 C18 C13 C10 -19(3) . . . . ?
O22 W1 O18 W5 -101.8(14) . . . . ?
O22 W1 O7 W6 21(2) . . . . ?
O22 W4 O24 W2 103.6(11) . . . . ?
C18 C12 C2 C1 -5(3) . . . . ?
C18 C16 C20 C1 -1(3) . . . . ?
C20 C1 C2 C12 5(3) . . . . ?
C20 C16 C18 C12 1(3) . . . . ?
C20 C16 C18 C13 -177.2(18) . . . . ?
C21 N1 C1 C20 37(3) . . . . ?
C21 N1 C1 C2 -145.4(19) . . . . ?
C11 C14 C17 C3 9(3) . . . . ?
O24 W4 O22 W1 -105.2(12) . . . . ?
O24 W2 O5 Co1 -55(3) . . . . ?
C3 C10 C13 O14 145.2(19) . . . . ?
C3 C10 C13 C18 -42(2) . . . . ?
C3 C10 C15 C11 7(2) . . . . ?
C13 C10 C3 C17 175.4(17) . . . . ?
C13 C10 C15 C11 -175.9(17) . . . . ?
O26 W6 O8 W5 -152.3(13) . . . . ?
C7 N4 C5 N5 1(2) . . . . ?
C15 C10 C3 C17 -7(2) . . . . ?
C15 C10 C13 O14 -32(3) . . . . ?
C15 C10 C13 C18 140.8(18) . . . . ?
O13 W3 O20 W4 -10(3) . . . . ?
O13 W3 O17 W5 -56.1(12) . . . 2_766 ?
O13 W2 O5 Co1 127(3) 2_766 . . . ?
O7 W1 O18 W5 57.0(14) . . . . ?
O7 W1 O22 W4 31(2) . . . . ?
O7 W6 O8 W5 -50.9(14) . . . . ?
C2 C1 C20 C16 -2(3) . . . . ?
C2 C12 C18 C16 2(3) . . . . ?
C2 C12 C18 C13 -179.8(19) . . . . ?
O15 W4 O22 W1 152.6(13) . . . . ?
O15 W4 O24 W2 -155.6(11) . . . . ?
C17 C14 C11 C15 -9(3) . . . . ?
O8 W5 O18 W1 -57.3(13) . . . . ?
C9 N6 C14 C11 -62(2) . . . . ?
C9 N6 C14 C17 124.1(18) . . . . ?
C9 C7 C19 N5 175.9(19) . . . . ?
O17 W3 O20 W4 -102.9(14) . . . . ?
O17 W3 O13 W2 55.5(18) . . . 2_766 ?
O17 W5 O18 W1 16(3) 2_766 . . . ?
O9 W2 O5 Co1 -143(3) . . . . ?
O9 W5 O18 W1 101.3(13) . . . . ?
C19 C7 C9 O2 -166(2) . . . . ?
C19 C7 C9 N6 18(3) . . . . ?
C19 N5 C5 N4 1(2) . . . . ?
O19 W4 O22 W1 -24(2) . . . . ?
O19 W4 O24 W2 -55.8(12) . . . . ?
O19 W6 O8 W5 107.6(14) 2_766 . . . ?
O1 W6 O8 W5 24(3) . . . . ?
O1 W2 O5 Co1 36(3) 2_766 . . . ?
O21 W3 O20 W4 -38.3(14) . . . . ?
O21 W3 O13 W2 -5.9(15) . . . 2_766 ?
O21 W3 O17 W5 4.3(9) . . . 2_766 ?
O21 W2 O5 Co1 169(2) 2_766 . . . ?
O21 W5 O18 W1 37.6(14) 2_766 . . . ?
O21 Si1 O11 W1 -119.2(13) 2_766 . . 2_766 ?
O21 Si1 O11 W1 60.8(13) . . . 2_766 ?
O21 Si1 O11 W4 -66.7(12) . . . 2_766 ?
O21 Si1 O11 W4 113.3(12) 2_766 . . 2_766 ?
O21 Si1 O11 W3 1.8(8) 2_766 . . 2_766 ?
O21 Si1 O11 W3 -178.2(8) . . . 2_766 ?
O21 Si1 O23 W4 -114.6(11) 2_766 . . . ?
O21 Si1 O23 W4 65.4(11) . . . . ?
O21 Si1 O23 W6 -65.2(12) . . . 2_766 ?
O21 Si1 O23 W6 114.8(12) 2_766 . . 2_766 ?
O21 Si1 O23 W2 -0.7(8) 2_766 . . . ?
O21 Si1 O23 W2 179.3(8) . . . . ?
O21 Si1 O6 W1 121.2(12) 2_766 . . . ?
O21 Si1 O6 W1 -58.8(12) . . . . ?
O21 Si1 O6 W6 -109.7(11) 2_766 . . . ?
O21 Si1 O6 W6 70.3(11) . . . . ?
O21 Si1 O6 W5 -177.6(9) . . . . ?
O21 Si1 O6 W5 2.4(9) 2_766 . . . ?
O21 Si1 O6 O11 -59.1(11) . . . 2_766 ?
O21 Si1 O6 O11 120.9(11) 2_766 . . 2_766 ?
O21 Si1 O6 O23 68.9(10) . . . 2_766 ?
O21 Si1 O6 O23 -111.1(10) 2_766 . . 2_766 ?
C5 N4 C7 C9 -176.9(16) . . . . ?
C5 N4 C7 C19 -2(2) . . . . ?
C5 N5 C19 C7 -3(2) . . . . ?
O11 W1 O18 W5 -38.2(14) 2_766 . . . ?
O11 W1 O22 W4 10.2(11) 2_766 . . . ?
O11 W1 O7 W6 39.8(13) 2_766 . . . ?
O11 W4 O22 W1 -10.0(11) 2_766 . . . ?
O11 W4 O24 W2 41.9(11) 2_766 . . . ?
O11 W3 O20 W4 -2.6(12) 2_766 . . . ?
O11 W3 O13 W2 -44.3(18) 2_766 . . 2_766 ?
O11 W3 O17 W5 37.3(11) 2_766 . . 2_766 ?
O11 Si1 O21 W3 -177.9(10) . . . . ?
O11 Si1 O21 W3 2.1(10) 2_766 . . . ?
O11 Si1 O21 W2 62.1(11) . . . 2_766 ?
O11 Si1 O21 W2 -117.9(11) 2_766 . . 2_766 ?
O11 Si1 O21 W5 -52.2(12) . . . 2_766 ?
O11 Si1 O21 W5 127.8(12) 2_766 . . 2_766 ?
O11 Si1 O23 W4 1.4(10) 2_766 . . . ?
O11 Si1 O23 W4 -178.6(10) . . . . ?
O11 Si1 O23 W6 -129.2(14) 2_766 . . 2_766 ?
O11 Si1 O23 W6 50.8(14) . . . 2_766 ?
O11 Si1 O23 W2 -64.7(11) . . . . ?
O11 Si1 O23 W2 115.3(11) 2_766 . . . ?
O11 Si1 O6 W1 -179.7(10) . . . . ?
O11 Si1 O6 W1 0.3(10) 2_766 . . . ?
O11 Si1 O6 W6 129.4(13) 2_766 . . . ?
O11 Si1 O6 W6 -50.6(13) . . . . ?
O11 Si1 O6 W5 61.5(13) . . . . ?
O11 Si1 O6 W5 -118.5(13) 2_766 . . . ?
O11 Si1 O6 O11 180.000(1) . . . 2_766 ?
O11 Si1 O6 O23 -52.0(11) . . . 2_766 ?
O11 Si1 O6 O23 128.0(11) 2_766 . . 2_766 ?
O23 W4 O22 W1 -39.7(12) . . . . ?
O23 W4 O24 W2 5.3(9) . . . . ?
O23 W6 O8 W5 43.9(14) 2_766 . . . ?
O23 W2 O5 Co1 -9(4) . . . . ?
O23 Si1 O21 W3 -60.7(11) . . . . ?
O23 Si1 O21 W3 119.3(11) 2_766 . . . ?
O23 Si1 O21 W2 179.3(9) . . . 2_766 ?
O23 Si1 O21 W2 -0.7(9) 2_766 . . 2_766 ?
O23 Si1 O21 W5 65.1(11) . . . 2_766 ?
O23 Si1 O21 W5 -114.9(11) 2_766 . . 2_766 ?
O23 Si1 O11 W1 128.9(14) 2_766 . . 2_766 ?
O23 Si1 O11 W1 -51.1(14) . . . 2_766 ?
O23 Si1 O11 W4 1.3(9) 2_766 . . 2_766 ?
O23 Si1 O11 W4 -178.7(9) . . . 2_766 ?
O23 Si1 O11 W3 69.8(11) . . . 2_766 ?
O23 Si1 O11 W3 -110.2(11) 2_766 . . 2_766 ?
O23 Si1 O6 W1 -127.7(13) 2_766 . . . ?
O23 Si1 O6 W1 52.3(13) . . . . ?
O23 Si1 O6 W6 1.4(9) 2_766 . . . ?
O23 Si1 O6 W6 -178.6(9) . . . . ?
O23 Si1 O6 W5 -66.5(12) . . . . ?
O23 Si1 O6 W5 113.5(12) 2_766 . . . ?
O23 Si1 O6 O11 52.0(11) . . . 2_766 ?
O23 Si1 O6 O11 -128.0(11) 2_766 . . 2_766 ?
O23 Si1 O6 O23 179.999(1) . . . 2_766 ?
O6 W1 O18 W5 -4.8(11) . . . . ?
O6 W1 O22 W4 40.8(12) . . . . ?
O6 W1 O7 W6 10.1(11) . . . . ?
O6 W6 O8 W5 7.3(12) . . . . ?
O6 W5 O18 W1 4.6(11) . . . . ?
O6 Si1 O21 W3 56.8(12) . . . . ?
O6 Si1 O21 W3 -123.2(12) 2_766 . . . ?
O6 Si1 O21 W2 -63.2(11) . . . 2_766 ?
O6 Si1 O21 W2 116.8(11) 2_766 . . 2_766 ?
O6 Si1 O21 W5 -177.4(9) . . . 2_766 ?
O6 Si1 O21 W5 2.6(9) 2_766 . . 2_766 ?
O6 Si1 O11 W1 0.3(10) 2_766 . . 2_766 ?
O6 Si1 O11 W1 -179.7(10) . . . 2_766 ?
O6 Si1 O11 W4 52.7(14) . . . 2_766 ?
O6 Si1 O11 W4 -127.3(14) 2_766 . . 2_766 ?
O6 Si1 O11 W3 121.2(12) 2_766 . . 2_766 ?
O6 Si1 O11 W3 -58.8(12) . . . 2_766 ?
O6 Si1 O23 W4 132.1(13) 2_766 . . . ?
O6 Si1 O23 W4 -47.9(13) . . . . ?
O6 Si1 O23 W6 1.5(10) 2_766 . . 2_766 ?
O6 Si1 O23 W6 -178.5(10) . . . 2_766 ?
O6 Si1 O23 W2 66.0(11) . . . . ?
O6 Si1 O23 W2 -114.0(11) 2_766 . . . ?
O25 W5 O18 W1 -157.4(13) . . . . ?

_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 0.000 0.000 0.500 292.3 48.0 '5 H2O'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_1_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2108018'
loop_
_audit_author_name
_audit_author_address
'Lei Li'
;Bohai university
China
;
_audit_update_record             
;
2021-11-17 deposited with the CCDC.	2022-01-20 downloaded from the CCDC.
;
_audit_creation_date             2021-11-17
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H34 Co2 N12 O46 Si W12'
_chemical_formula_sum            'C32 H34 Co2 N12 O46 Si W12'
_chemical_formula_weight         3674.86
_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'
Co Co 0.3494 0.9721 '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'
Si Si 0.0817 0.0704 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.4528(17)
_cell_length_b                   11.5586(16)
_cell_length_c                   14.2713(19)
_cell_angle_alpha                77.001(3)
_cell_angle_beta                 89.888(3)
_cell_angle_gamma                78.240(3)
_cell_volume                     1800.3(4)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    1721
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      25.92
_cell_measurement_theta_min      2.28
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    19.644
_exptl_absorpt_correction_T_max  0.87
_exptl_absorpt_correction_T_min  0.86
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Krause et al., 2015) was used for absorption correction.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    3.390
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1634
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.22
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0480
_diffrn_reflns_av_unetI/netI     0.0999
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            12297
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.232
_diffrn_reflns_theta_min         1.818
_diffrn_ambient_temperature      296.15
_diffrn_detector                 'charge-coupled device (CCD) area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'Bruker APEX II'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_collimation    'focusing mirrors'
_diffrn_radiation_detector       'Bruker APEX II'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_xray_symbol    K-L~3~
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.2
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           40.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5158
_reflns_number_total             8011
_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       ?
_computing_data_collection       'APEX3 Ver. 2016.5-0 (Bruker-AXS, 2016)'
_computing_data_reduction        ?
_computing_molecular_graphics    'OLEX2 (Dolomanov et al., 2009)'
_computing_publication_material  'OLEX2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2015b)'
_computing_structure_solution    'XT (Sheldrick, 2015a)'
_refine_diff_density_max         1.855
_refine_diff_density_min         -1.911
_refine_diff_density_rms         0.330
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.950
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     494
_refine_ls_number_reflns         8011
_refine_ls_number_restraints     73
_refine_ls_R_factor_all          0.0881
_refine_ls_R_factor_gt           0.0496
_refine_ls_restrained_S_all      0.961
_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)+(0.0346P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0952
_refine_ls_wR_factor_ref         0.1091
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Rigid bond restraints
 C13, C15
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Uiso/Uaniso restraints and constraints
O12 \\sim W3 \\sim W5 \\sim W2 \\sim O10 \\sim O11 \\sim W6 \\sim W4: within 2A
with sigma of 0.02 and sigma for terminal atoms of 0.01 within 2A
O19 \\sim W4 \\sim W1: within 2A with sigma of 0.02 and sigma for terminal
atoms of 0.01 within 2A
Uanis(O16) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O18) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O22) \\sim Ueq, Uanis(O23) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
4. Others
 Fixed Sof: O21(0.5) O22(0.5) O23(0.5) O24(0.5)
5.a Rotating group:
 O1W(H1WA,H1WB)
5.b Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C10(H10A,H10B)
5.c Aromatic/amide H refined with riding coordinates:
 N4(H4), N5(H5), C2(H2), C4(H4A), N6(H6), C7(H7), C8(H8), C12(H12), C13(H13),
 C14(H14), C16(H16)
;
_atom_sites_solution_hydrogens   mixed
_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 0.75835(5) 0.31329(5) 0.44045(4) 0.02748(15) Uani 1 1 d . U . . .
W2 W 0.52360(6) 0.75990(5) 0.58388(4) 0.02832(15) Uani 1 1 d . U . . .
W3 W 0.60604(6) 0.20697(5) 0.64641(4) 0.02789(15) Uani 1 1 d . U . . .
W4 W 0.65044(6) 0.60360(5) 0.29128(4) 0.03200(17) Uani 1 1 d . U . . .
W5 W 0.63373(6) 0.46685(6) 0.72803(4) 0.03273(16) Uani 1 1 d . U . . .
W6 W 0.78184(6) 0.57511(6) 0.52058(4) 0.03598(17) Uani 1 1 d . U . . .
Co1 Co 0.79227(18) 0.50135(16) 0.94585(12) 0.0275(4) Uani 1 1 d . . . . .
Si1 Si 0.500000 0.500000 0.500000 0.0164(10) Uani 1 2 d S . P . .
O1 O 0.6542(9) 0.6547(7) 0.9350(6) 0.031(2) Uani 1 1 d . . . . .
O2 O 0.9287(9) 0.3427(8) 0.9696(6) 0.032(2) Uani 1 1 d . . . . .
O1W O 0.8760(9) 0.5563(9) 1.0583(7) 0.037(3) Uani 1 1 d . . . . .
H1WA H 0.906641 0.620955 1.035398 0.056 Uiso 1 1 d R U . . .
H1WB H 0.822295 0.582693 1.097546 0.056 Uiso 1 1 d R U . . .
O3 O 0.3618(11) 0.7528(11) 0.6094(6) 0.056(3) Uani 1 1 d . . . . .
O4 O 0.6576(10) 0.0693(8) 0.7187(7) 0.042(3) Uani 1 1 d . . . . .
O5 O 0.6954(10) 0.4511(9) 0.8383(6) 0.039(3) Uani 1 1 d . . . . .
N1 N 0.7244(12) 0.3881(10) 1.0547(8) 0.031(3) Uani 1 1 d . . . . .
O6 O 0.8801(10) 0.2258(9) 0.4092(7) 0.047(3) Uani 1 1 d . . . . .
N2 N 0.8546(10) 0.6221(10) 0.8375(8) 0.028(3) Uani 1 1 d . . . . .
O7 O 0.5327(11) 0.8800(9) 0.6266(7) 0.049(3) Uani 1 1 d . . . . .
N3 N 0.9175(14) 0.7389(12) 0.7130(9) 0.046(4) Uani 1 1 d . . . . .
N4 N 0.5935(11) 0.8517(10) 0.8587(8) 0.031(3) Uani 1 1 d . . . . .
H4 H 0.608961 0.908456 0.813109 0.037 Uiso 1 1 calc R U . . .
O8 O 0.4747(11) 0.8288(13) 0.4544(7) 0.067(4) Uani 1 1 d . . . . .
O9 O 0.7206(10) 0.6498(9) 0.1914(6) 0.042(3) Uani 1 1 d . . . . .
O10 O 0.5671(12) 0.6334(10) 0.6981(8) 0.067(4) Uani 1 1 d . U . . .
O11 O 0.6782(12) 0.7144(11) 0.5431(8) 0.076(4) Uani 1 1 d . U . . .
O12 O 0.6679(11) 0.3039(11) 0.7142(9) 0.066(3) Uani 1 1 d . U . . .
O13 O 0.8227(14) 0.4141(10) 0.4988(8) 0.081(5) Uani 1 1 d . . . . .
N5 N 0.9926(12) 0.1561(11) 1.0680(9) 0.042(3) Uani 1 1 d . . . . .
H5 H 0.979062 0.104115 1.118065 0.051 Uiso 1 1 calc R U . . .
C1 C 0.9180(13) 0.2572(12) 1.0424(9) 0.026(3) Uani 1 1 d . . . . .
C2 C 0.8107(14) 0.8059(13) 0.7376(10) 0.034(4) Uani 1 1 d . . . . .
H2 H 0.772726 0.884690 0.707629 0.041 Uiso 1 1 calc R U . . .
O14 O 0.7363(12) 0.2220(13) 0.5635(8) 0.066(4) Uani 1 1 d . . . . .
O15 O 0.4587(12) 0.2533(13) 0.6988(11) 0.090(5) Uani 1 1 d . . . . .
C3 C 0.7744(11) 0.7311(12) 0.8147(9) 0.022(3) Uani 1 1 d . . . . .
C4 C 0.9381(15) 0.6318(15) 0.7741(9) 0.040(4) Uani 1 1 d . . . . .
H4A H 1.003944 0.570150 0.772526 0.048 Uiso 1 1 calc R U . . .
O16 O 0.7580(12) 0.4970(11) 0.6511(8) 0.075(4) Uani 1 1 d . U . . .
N6 N 0.6539(15) 0.2952(13) 1.1829(10) 0.057(4) Uani 1 1 d . . . . .
H6 H 0.605616 0.280053 1.228111 0.069 Uiso 1 1 calc R U . . .
O17 O 0.7475(15) 0.6341(9) 0.3868(8) 0.078(5) Uani 1 1 d . . . . .
O18 O 0.4776(13) 0.4449(11) 0.7600(10) 0.076(4) Uani 1 1 d . U . . .
C5 C 0.8076(15) 0.2811(12) 1.0938(9) 0.033(4) Uani 1 1 d . . . . .
O19 O 0.7253(13) 0.4427(10) 0.3277(8) 0.068(3) Uani 1 1 d . U . . .
C6 C 0.6696(13) 0.7451(12) 0.8716(9) 0.029(3) Uani 1 1 d . . . . .
C7 C 0.6346(15) 0.3921(14) 1.1100(10) 0.039(4) Uani 1 1 d . . . . .
H7 H 0.566538 0.453877 1.100147 0.047 Uiso 1 1 calc R U . . .
C8 C 0.7619(17) 0.2235(16) 1.1752(11) 0.051(5) Uani 1 1 d . . . . .
H8 H 0.797108 0.150360 1.216692 0.061 Uiso 1 1 calc R U . . .
C9 C 1.1033(16) 0.1242(15) 1.0141(13) 0.055(5) Uani 1 1 d . . . . .
H9A H 1.080055 0.122892 0.949118 0.066 Uiso 1 1 calc R U . . .
H9B H 1.149388 0.186709 1.009901 0.066 Uiso 1 1 calc R U . . .
C10 C 1.1762(14) 0.0102(13) 1.0583(12) 0.042(4) Uani 1 1 d . . . . .
H10A H 1.127865 -0.050805 1.065301 0.050 Uiso 1 1 calc R U . . .
H10B H 1.200691 0.013485 1.122484 0.050 Uiso 1 1 calc R U . . .
C11 C 1.2837(17) -0.0304(13) 1.0084(12) 0.047(4) Uani 1 1 d . . . . .
O20 O 0.9141(11) 0.6095(11) 0.5338(9) 0.063(4) Uani 1 1 d . . . . .
O21 O 0.4204(15) 0.4396(14) 0.4375(11) 0.016(4) Uani 0.5 1 d . . P . .
O22 O 0.5195(15) 0.4173(14) 0.6107(11) 0.018(4) Uani 0.5 1 d . U P . .
O23 O 0.4401(17) 0.6324(14) 0.4997(11) 0.022(4) Uani 0.5 1 d . U P . .
O24 O 0.6263(16) 0.4947(15) 0.4554(11) 0.023(4) Uani 0.5 1 d . . P . .
C12 C 1.360(2) -0.139(2) 1.0399(15) 0.083(7) Uani 1 1 d . . . . .
H12 H 1.340668 -0.190815 1.094988 0.100 Uiso 1 1 calc R U . . .
C13 C 1.4690(19) -0.1807(16) 0.9940(14) 0.064(6) Uani 1 1 d . U . . .
H13 H 1.522556 -0.251589 1.023329 0.077 Uiso 1 1 calc R U . . .
C14 C 1.3071(18) 0.0296(15) 0.9199(12) 0.057(5) Uani 1 1 d . . . . .
H14 H 1.252017 0.098708 0.889452 0.069 Uiso 1 1 calc R U . . .
C15 C 1.4897(15) -0.1154(14) 0.9102(11) 0.040(4) Uani 1 1 d . U . . .
C16 C 1.4114(15) -0.0072(13) 0.8711(12) 0.051(5) Uani 1 1 d . . . . .
H16 H 1.426915 0.041389 0.813003 0.061 Uiso 1 1 calc R 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 O3 1.912(10) 2_666 ?
W1 O6 1.670(10) . ?
W1 O13 1.840(11) . ?
W1 O14 1.880(11) . ?
W1 O19 1.912(10) . ?
W1 O23 2.437(18) 2_666 ?
W1 O24 2.374(18) . ?
W2 O3 1.903(11) . ?
W2 O7 1.658(9) . ?
W2 O8 1.877(11) . ?
W2 O10 1.917(10) . ?
W2 O11 1.872(12) . ?
W2 O21 2.352(15) 2_666 ?
W2 O23 2.431(17) . ?
W3 O4 1.681(9) . ?
W3 O8 1.877(10) 2_666 ?
W3 O12 1.873(11) . ?
W3 O14 1.914(11) . ?
W3 O15 1.870(12) . ?
W3 O22 2.369(16) . ?
W3 O23 2.436(15) 2_666 ?
W4 O9 1.671(8) . ?
W4 O15 1.893(12) 2_666 ?
W4 O17 1.898(12) . ?
W4 O18 1.877(13) 2_666 ?
W4 O19 1.839(11) . ?
W4 O22 2.415(15) 2_666 ?
W4 O24 2.441(16) . ?
W5 O5 1.683(9) . ?
W5 O10 1.872(10) . ?
W5 O12 1.899(11) . ?
W5 O16 1.838(12) . ?
W5 O18 1.897(13) . ?
W5 O21 2.391(15) 2_666 ?
W5 O22 2.364(16) . ?
W6 O11 1.886(11) . ?
W6 O13 1.919(12) . ?
W6 O16 1.924(11) . ?
W6 O17 1.890(11) . ?
W6 O20 1.663(11) . ?
W6 O21 2.421(16) 2_666 ?
W6 O24 2.444(17) . ?
Co1 O1 2.098(9) . ?
Co1 O2 2.115(10) . ?
Co1 O1W 2.147(9) . ?
Co1 O5 2.143(10) . ?
Co1 N1 2.056(11) . ?
Co1 N2 2.068(11) . ?
Si1 O21 1.630(15) 2_666 ?
Si1 O21 1.630(15) . ?
Si1 O22 1.642(16) . ?
Si1 O22 1.642(16) 2_666 ?
Si1 O23 1.543(16) 2_666 ?
Si1 O23 1.543(16) . ?
Si1 O24 1.575(18) . ?
Si1 O24 1.575(18) 2_666 ?
O1 C6 1.261(15) . ?
O2 C1 1.287(14) . ?
O1W H1WA 0.8858 . ?
O1W H1WB 0.8861 . ?
N1 C5 1.400(18) . ?
N1 C7 1.295(17) . ?
N2 C3 1.372(16) . ?
N2 C4 1.320(17) . ?
N3 C2 1.397(19) . ?
N3 C4 1.321(18) . ?
N4 H4 0.8600 . ?
N4 C6 1.332(17) . ?
N4 C15 1.426(19) 1_465 ?
N5 H5 0.8600 . ?
N5 C1 1.278(17) . ?
N5 C9 1.506(19) . ?
C1 C5 1.470(19) . ?
C2 H2 0.9300 . ?
C2 C3 1.360(17) . ?
C3 C6 1.449(18) . ?
C4 H4A 0.9300 . ?
N6 H6 0.8600 . ?
N6 C7 1.327(19) . ?
N6 C8 1.36(2) . ?
C5 C8 1.363(19) . ?
C7 H7 0.9300 . ?
C8 H8 0.9300 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.42(2) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.47(2) . ?
C11 C12 1.36(3) . ?
C11 C14 1.35(2) . ?
O21 O23 1.78(2) 2_666 ?
O23 O24 1.78(2) 2_666 ?
C12 H12 0.9300 . ?
C12 C13 1.46(3) . ?
C13 H13 0.9300 . ?
C13 C15 1.31(2) . ?
C14 H14 0.9300 . ?
C14 C16 1.42(2) . ?
C15 C16 1.38(2) . ?
C16 H16 0.9300 . ?

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
O3 W1 O19 86.8(5) 2_666 . ?
O3 W1 O23 65.0(5) 2_666 2_666 ?
O3 W1 O24 95.0(6) 2_666 . ?
O6 W1 O3 99.4(5) . 2_666 ?
O6 W1 O13 102.2(6) . . ?
O6 W1 O14 101.1(6) . . ?
O6 W1 O19 101.0(6) . . ?
O6 W1 O23 158.6(5) . 2_666 ?
O6 W1 O24 157.8(5) . . ?
O13 W1 O3 158.4(6) . 2_666 ?
O13 W1 O14 88.4(5) . . ?
O13 W1 O19 88.2(5) . . ?
O13 W1 O23 94.3(6) . 2_666 ?
O13 W1 O24 64.1(6) . . ?
O14 W1 O3 88.4(4) . 2_666 ?
O14 W1 O19 157.9(6) . . ?
O14 W1 O23 65.4(6) . 2_666 ?
O14 W1 O24 96.0(6) . . ?
O19 W1 O23 93.1(6) . 2_666 ?
O19 W1 O24 63.0(6) . . ?
O24 W1 O23 43.5(5) . 2_666 ?
O3 W2 O10 87.2(5) . . ?
O3 W2 O21 95.5(5) . 2_666 ?
O3 W2 O23 65.3(5) . . ?
O7 W2 O3 99.3(5) . . ?
O7 W2 O8 102.8(6) . . ?
O7 W2 O10 100.2(5) . . ?
O7 W2 O11 102.3(6) . . ?
O7 W2 O21 157.3(6) . 2_666 ?
O7 W2 O23 158.9(6) . . ?
O8 W2 O3 88.2(5) . . ?
O8 W2 O10 156.9(6) . . ?
O8 W2 O21 94.7(6) . 2_666 ?
O8 W2 O23 64.0(5) . . ?
O10 W2 O21 63.3(5) . 2_666 ?
O10 W2 O23 93.6(6) . . ?
O11 W2 O3 158.3(6) . . ?
O11 W2 O8 88.0(5) . . ?
O11 W2 O10 88.0(5) . . ?
O11 W2 O21 63.6(6) . 2_666 ?
O11 W2 O23 94.0(6) . . ?
O21 W2 O23 43.7(6) 2_666 . ?
O4 W3 O8 102.9(5) . 2_666 ?
O4 W3 O12 100.0(6) . . ?
O4 W3 O14 101.0(6) . . ?
O4 W3 O15 101.2(6) . . ?
O4 W3 O22 155.4(5) . . ?
O4 W3 O23 160.0(5) . 2_666 ?
O8 W3 O14 87.7(5) 2_666 . ?
O8 W3 O22 96.0(6) 2_666 . ?
O8 W3 O23 63.9(6) 2_666 2_666 ?
O12 W3 O8 157.0(6) . 2_666 ?
O12 W3 O14 86.6(5) . . ?
O12 W3 O22 62.5(6) . . ?
O12 W3 O23 93.6(6) . 2_666 ?
O14 W3 O22 95.3(6) . . ?
O14 W3 O23 65.1(6) . 2_666 ?
O15 W3 O8 88.9(6) . 2_666 ?
O15 W3 O12 88.0(5) . . ?
O15 W3 O14 157.7(7) . . ?
O15 W3 O22 63.2(6) . . ?
O15 W3 O23 93.8(7) . 2_666 ?
O22 W3 O23 44.5(5) . 2_666 ?
O9 W4 O15 102.8(6) . 2_666 ?
O9 W4 O17 101.5(6) . . ?
O9 W4 O18 100.9(6) . 2_666 ?
O9 W4 O19 101.3(5) . . ?
O9 W4 O22 156.0(6) . 2_666 ?
O9 W4 O24 157.9(6) . . ?
O15 W4 O17 87.0(6) 2_666 . ?
O15 W4 O22 62.0(6) 2_666 2_666 ?
O15 W4 O24 94.4(6) 2_666 . ?
O17 W4 O22 96.3(6) . 2_666 ?
O17 W4 O24 65.2(5) . . ?
O18 W4 O15 87.4(5) 2_666 2_666 ?
O18 W4 O17 157.6(6) 2_666 . ?
O18 W4 O22 62.1(5) 2_666 2_666 ?
O18 W4 O24 93.6(6) 2_666 . ?
O19 W4 O15 156.0(6) . 2_666 ?
O19 W4 O17 88.0(5) . . ?
O19 W4 O18 88.3(6) . 2_666 ?
O19 W4 O22 95.3(6) . 2_666 ?
O19 W4 O24 62.3(6) . . ?
O22 W4 O24 46.0(6) 2_666 . ?
O5 W5 O10 100.3(5) . . ?
O5 W5 O12 101.4(5) . . ?
O5 W5 O16 101.5(6) . . ?
O5 W5 O18 100.5(6) . . ?
O5 W5 O21 156.9(5) . 2_666 ?
O5 W5 O22 155.8(5) . . ?
O10 W5 O12 158.1(6) . . ?
O10 W5 O18 86.1(6) . . ?
O10 W5 O21 63.0(5) . 2_666 ?
O10 W5 O22 96.2(6) . . ?
O12 W5 O21 96.8(5) . 2_666 ?
O12 W5 O22 62.3(6) . . ?
O16 W5 O10 89.2(5) . . ?
O16 W5 O12 89.2(5) . . ?
O16 W5 O18 158.0(6) . . ?
O16 W5 O21 64.4(6) . 2_666 ?
O16 W5 O22 96.3(6) . . ?
O18 W5 O12 87.3(5) . . ?
O18 W5 O21 94.4(6) . 2_666 ?
O18 W5 O22 63.0(5) . . ?
O22 W5 O21 47.3(5) . 2_666 ?
O11 W6 O13 155.5(7) . . ?
O11 W6 O16 86.8(5) . . ?
O11 W6 O17 89.7(5) . . ?
O11 W6 O21 61.9(6) . 2_666 ?
O11 W6 O24 95.5(6) . . ?
O13 W6 O16 85.7(5) . . ?
O13 W6 O21 94.0(6) . 2_666 ?
O13 W6 O24 61.6(6) . . ?
O16 W6 O21 62.7(6) . 2_666 ?
O16 W6 O24 92.9(6) . . ?
O17 W6 O13 88.4(4) . . ?
O17 W6 O16 157.4(7) . . ?
O17 W6 O21 96.1(6) . 2_666 ?
O17 W6 O24 65.3(5) . . ?
O20 W6 O11 101.0(6) . . ?
O20 W6 O13 103.3(6) . . ?
O20 W6 O16 100.6(7) . . ?
O20 W6 O17 102.0(6) . . ?
O20 W6 O21 155.2(5) . 2_666 ?
O20 W6 O24 159.2(6) . . ?
O21 W6 O24 45.6(5) 2_666 . ?
O1 Co1 O2 175.1(3) . . ?
O1 Co1 O1W 88.6(4) . . ?
O1 Co1 O5 87.9(4) . . ?
O2 Co1 O1W 88.6(4) . . ?
O2 Co1 O5 94.7(4) . . ?
O5 Co1 O1W 175.5(4) . . ?
N1 Co1 O1 97.1(4) . . ?
N1 Co1 O2 78.7(4) . . ?
N1 Co1 O1W 86.0(4) . . ?
N1 Co1 O5 91.6(4) . . ?
N1 Co1 N2 177.3(4) . . ?
N2 Co1 O1 80.3(4) . . ?
N2 Co1 O2 103.9(4) . . ?
N2 Co1 O1W 93.4(4) . . ?
N2 Co1 O5 88.8(4) . . ?
O21 Si1 O21 180.0 2_666 . ?
O21 Si1 O22 71.3(8) . 2_666 ?
O21 Si1 O22 108.7(8) . . ?
O21 Si1 O22 71.3(8) 2_666 . ?
O21 Si1 O22 108.7(8) 2_666 2_666 ?
O22 Si1 O22 180.0 . 2_666 ?
O23 Si1 O21 68.3(9) . 2_666 ?
O23 Si1 O21 68.3(9) 2_666 . ?
O23 Si1 O21 111.7(9) . . ?
O23 Si1 O21 111.7(9) 2_666 2_666 ?
O23 Si1 O22 69.7(8) 2_666 . ?
O23 Si1 O22 110.3(8) 2_666 2_666 ?
O23 Si1 O22 69.7(8) . 2_666 ?
O23 Si1 O22 110.3(8) . . ?
O23 Si1 O23 180.0 . 2_666 ?
O23 Si1 O24 110.3(9) . . ?
O23 Si1 O24 69.7(9) . 2_666 ?
O23 Si1 O24 110.3(9) 2_666 2_666 ?
O23 Si1 O24 69.7(9) 2_666 . ?
O24 Si1 O21 72.1(8) . 2_666 ?
O24 Si1 O21 107.9(8) 2_666 2_666 ?
O24 Si1 O21 107.9(8) . . ?
O24 Si1 O21 72.1(8) 2_666 . ?
O24 Si1 O22 72.2(8) . 2_666 ?
O24 Si1 O22 72.2(8) 2_666 . ?
O24 Si1 O22 107.8(8) . . ?
O24 Si1 O22 107.8(8) 2_666 2_666 ?
O24 Si1 O24 180.0(11) 2_666 . ?
C6 O1 Co1 113.3(9) . . ?
C1 O2 Co1 116.2(8) . . ?
Co1 O1W H1WA 111.7 . . ?
Co1 O1W H1WB 110.7 . . ?
H1WA O1W H1WB 102.5 . . ?
W2 O3 W1 136.0(6) . 2_666 ?
W5 O5 Co1 155.5(6) . . ?
C5 N1 Co1 112.3(10) . . ?
C7 N1 Co1 139.1(11) . . ?
C7 N1 C5 107.4(12) . . ?
C3 N2 Co1 110.4(8) . . ?
C4 N2 Co1 143.7(10) . . ?
C4 N2 C3 105.4(12) . . ?
C4 N3 C2 107.1(13) . . ?
C6 N4 H4 115.6 . . ?
C6 N4 C15 128.8(12) . 1_465 ?
C15 N4 H4 115.6 1_465 . ?
W3 O8 W2 139.1(7) 2_666 . ?
W5 O10 W2 137.0(7) . . ?
W2 O11 W6 139.2(8) . . ?
W3 O12 W5 138.6(8) . . ?
W1 O13 W6 139.4(8) . . ?
C1 N5 H5 118.7 . . ?
C1 N5 C9 122.7(13) . . ?
C9 N5 H5 118.7 . . ?
O2 C1 C5 114.7(12) . . ?
N5 C1 O2 124.6(13) . . ?
N5 C1 C5 120.6(12) . . ?
N3 C2 H2 127.4 . . ?
C3 C2 N3 105.1(13) . . ?
C3 C2 H2 127.4 . . ?
W1 O14 W3 136.5(8) . . ?
W3 O15 W4 139.4(8) . 2_666 ?
N2 C3 C6 117.6(11) . . ?
C2 C3 N2 110.0(12) . . ?
C2 C3 C6 132.4(13) . . ?
N2 C4 N3 112.3(15) . . ?
N2 C4 H4A 123.8 . . ?
N3 C4 H4A 123.8 . . ?
W5 O16 W6 138.6(8) . . ?
C7 N6 H6 125.2 . . ?
C7 N6 C8 109.5(14) . . ?
C8 N6 H6 125.2 . . ?
W6 O17 W4 136.9(7) . . ?
W4 O18 W5 139.2(7) 2_666 . ?
N1 C5 C1 117.0(11) . . ?
C8 C5 N1 107.4(14) . . ?
C8 C5 C1 135.6(15) . . ?
W4 O19 W1 140.0(7) . . ?
O1 C6 N4 121.1(14) . . ?
O1 C6 C3 118.3(13) . . ?
N4 C6 C3 120.6(12) . . ?
N1 C7 N6 110.0(15) . . ?
N1 C7 H7 125.0 . . ?
N6 C7 H7 125.0 . . ?
N6 C8 C5 105.6(15) . . ?
N6 C8 H8 127.2 . . ?
C5 C8 H8 127.2 . . ?
N5 C9 H9A 109.0 . . ?
N5 C9 H9B 109.0 . . ?
H9A C9 H9B 107.8 . . ?
C10 C9 N5 113.0(14) . . ?
C10 C9 H9A 109.0 . . ?
C10 C9 H9B 109.0 . . ?
C9 C10 H10A 108.1 . . ?
C9 C10 H10B 108.1 . . ?
C9 C10 C11 116.6(14) . . ?
H10A C10 H10B 107.3 . . ?
C11 C10 H10A 108.1 . . ?
C11 C10 H10B 108.1 . . ?
C12 C11 C10 123.4(16) . . ?
C14 C11 C10 122.7(15) . . ?
C14 C11 C12 113.3(18) . . ?
W2 O21 W5 96.0(5) 2_666 2_666 ?
W2 O21 W6 95.1(5) 2_666 2_666 ?
W5 O21 W6 94.0(6) 2_666 2_666 ?
Si1 O21 W2 124.0(9) . 2_666 ?
Si1 O21 W5 120.3(8) . 2_666 ?
Si1 O21 W6 120.5(7) . 2_666 ?
Si1 O21 O23 53.6(7) . 2_666 ?
O23 O21 W2 70.5(7) 2_666 2_666 ?
O23 O21 W5 132.9(9) 2_666 2_666 ?
O23 O21 W6 131.0(9) 2_666 2_666 ?
W3 O22 W4 95.1(5) . 2_666 ?
W5 O22 W3 96.4(6) . . ?
W5 O22 W4 95.5(5) . 2_666 ?
Si1 O22 W3 122.3(8) . . ?
Si1 O22 W4 120.0(9) . 2_666 ?
Si1 O22 W5 121.2(8) . . ?
W2 O23 W1 93.2(5) . 2_666 ?
W2 O23 W3 92.6(5) . 2_666 ?
W3 O23 W1 92.6(6) 2_666 2_666 ?
Si1 O23 W1 122.3(9) . 2_666 ?
Si1 O23 W2 124.0(10) . . ?
Si1 O23 W3 123.5(8) . 2_666 ?
Si1 O23 O21 58.2(7) . 2_666 ?
Si1 O23 O24 56.0(8) . 2_666 ?
O21 O23 W1 130.7(9) 2_666 2_666 ?
O21 O23 W2 65.8(7) 2_666 . ?
O21 O23 W3 130.3(10) 2_666 2_666 ?
O24 O23 W1 66.4(8) 2_666 2_666 ?
O24 O23 W2 130.6(9) 2_666 . ?
O24 O23 W3 130.7(11) 2_666 2_666 ?
O24 O23 O21 93.3(10) 2_666 2_666 ?
W1 O24 W4 94.1(6) . . ?
W1 O24 W6 94.1(6) . . ?
W4 O24 W6 92.3(5) . . ?
Si1 O24 W1 124.5(8) . . ?
Si1 O24 W4 121.8(9) . . ?
Si1 O24 W6 121.9(8) . . ?
Si1 O24 O23 54.3(8) . 2_666 ?
O23 O24 W1 70.2(8) 2_666 . ?
O23 O24 W4 131.5(10) 2_666 . ?
O23 O24 W6 133.0(10) 2_666 . ?
C11 C12 H12 117.5 . . ?
C11 C12 C13 125(2) . . ?
C13 C12 H12 117.5 . . ?
C12 C13 H13 120.9 . . ?
C15 C13 C12 118.2(18) . . ?
C15 C13 H13 120.9 . . ?
C11 C14 H14 118.2 . . ?
C11 C14 C16 123.5(17) . . ?
C16 C14 H14 118.2 . . ?
C13 C15 N4 122.8(16) . 1_645 ?
C13 C15 C16 119.4(16) . . ?
C16 C15 N4 117.8(14) . 1_645 ?
C14 C16 H16 120.1 . . ?
C15 C16 C14 119.8(15) . . ?
C15 C16 H16 120.1 . . ?

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
Co1 O1 C6 N4 -176.5(10) . . . . ?
Co1 O1 C6 C3 1.8(14) . . . . ?
Co1 O2 C1 N5 -179.1(12) . . . . ?
Co1 O2 C1 C5 3.8(15) . . . . ?
Co1 N1 C5 C1 -10.2(15) . . . . ?
Co1 N1 C5 C8 169.4(10) . . . . ?
Co1 N1 C7 N6 -165.3(11) . . . . ?
Co1 N2 C3 C2 -174.4(9) . . . . ?
Co1 N2 C3 C6 4.0(14) . . . . ?
Co1 N2 C4 N3 171.1(12) . . . . ?
O2 C1 C5 N1 4.3(18) . . . . ?
O2 C1 C5 C8 -175.2(16) . . . . ?
O3 W1 O13 W6 -26(2) 2_666 . . . ?
O3 W1 O14 W3 -56.9(10) 2_666 . . . ?
O3 W2 O8 W3 -56.0(11) . . . 2_666 ?
O3 W2 O11 W6 -22(2) . . . . ?
O4 W3 O12 W5 -155.3(10) . . . . ?
O4 W3 O15 W4 153.7(12) . . . 2_666 ?
O5 W5 O10 W2 154.5(11) . . . . ?
O5 W5 O12 W3 154.5(10) . . . . ?
O5 W5 O16 W6 -155.4(10) . . . . ?
O5 W5 O18 W4 -155.6(11) . . . 2_666 ?
N1 C5 C8 N6 0.3(17) . . . . ?
O6 W1 O13 W6 151.4(11) . . . . ?
O6 W1 O14 W3 -156.2(9) . . . . ?
N2 C3 C6 O1 -4.1(18) . . . . ?
N2 C3 C6 N4 174.3(12) . . . . ?
O7 W2 O8 W3 -155.2(11) . . . 2_666 ?
O7 W2 O11 W6 155.8(10) . . . . ?
N3 C2 C3 N2 0.0(15) . . . . ?
N3 C2 C3 C6 -178.0(14) . . . . ?
N4 C15 C16 C14 -179.7(15) 1_645 . . . ?
O8 W2 O11 W6 -101.5(11) . . . . ?
O8 W3 O12 W5 28.2(19) 2_666 . . . ?
O8 W3 O15 W4 -103.4(13) 2_666 . . 2_666 ?
O9 W4 O17 W6 -155.9(11) . . . . ?
O9 W4 O19 W1 155.9(11) . . . . ?
O10 W2 O8 W3 22(2) . . . 2_666 ?
O10 W2 O11 W6 55.7(11) . . . . ?
O10 W5 O5 Co1 -41.8(15) . . . . ?
O10 W5 O12 W3 -18(2) . . . . ?
O10 W5 O16 W6 -55.1(11) . . . . ?
O10 W5 O18 W4 104.6(12) . . . 2_666 ?
O11 W2 O8 W3 102.7(12) . . . 2_666 ?
O11 W6 O17 W4 -101.7(12) . . . . ?
O12 W3 O15 W4 53.9(13) . . . 2_666 ?
O12 W5 O5 Co1 141.0(14) . . . . ?
O12 W5 O10 W2 -33(2) . . . . ?
O12 W5 O16 W6 103.1(11) . . . . ?
O12 W5 O18 W4 -54.5(12) . . . 2_666 ?
O13 W1 O14 W3 101.7(10) . . . . ?
O13 W6 O11 W2 17.0(19) . . . . ?
O13 W6 O17 W4 53.9(12) . . . . ?
N5 C1 C5 N1 -173.0(13) . . . . ?
N5 C1 C5 C8 8(3) . . . . ?
N5 C9 C10 C11 177.6(15) . . . . ?
C1 N5 C9 C10 176.9(15) . . . . ?
C1 C5 C8 N6 179.8(16) . . . . ?
C2 N3 C4 N2 -0.4(17) . . . . ?
C2 C3 C6 O1 173.8(14) . . . . ?
C2 C3 C6 N4 -8(2) . . . . ?
O14 W1 O13 W6 -107.6(12) . . . . ?
O14 W3 O12 W5 104.1(11) . . . . ?
O14 W3 O15 W4 -22(2) . . . 2_666 ?
O15 W3 O12 W5 -54.3(11) . . . . ?
O15 W4 O17 W6 101.7(12) 2_666 . . . ?
O15 W4 O19 W1 -24(2) 2_666 . . . ?
C3 N2 C4 N3 0.4(16) . . . . ?
C4 N2 C3 C2 -0.2(15) . . . . ?
C4 N2 C3 C6 178.1(11) . . . . ?
C4 N3 C2 C3 0.2(16) . . . . ?
O16 W5 O5 Co1 49.4(15) . . . . ?
O16 W5 O10 W2 52.9(12) . . . . ?
O16 W5 O12 W3 -103.9(11) . . . . ?
O16 W5 O18 W4 27(2) . . . 2_666 ?
O16 W6 O11 W2 -55.4(11) . . . . ?
O16 W6 O17 W4 -21(2) . . . . ?
O17 W4 O19 W1 54.5(12) . . . . ?
O17 W6 O11 W2 102.3(11) . . . . ?
O18 W4 O17 W6 26(2) 2_666 . . . ?
O18 W4 O19 W1 -103.4(12) 2_666 . . . ?
O18 W5 O5 Co1 -129.7(15) . . . . ?
O18 W5 O10 W2 -105.6(11) . . . . ?
O18 W5 O12 W3 54.3(11) . . . . ?
O18 W5 O16 W6 22(2) . . . . ?
C5 N1 C7 N6 0.3(17) . . . . ?
O19 W1 O13 W6 50.6(12) . . . . ?
O19 W1 O14 W3 20.4(19) . . . . ?
O19 W4 O17 W6 -54.8(12) . . . . ?
C7 N1 C5 C1 180.0(12) . . . . ?
C7 N1 C5 C8 -0.4(16) . . . . ?
C7 N6 C8 C5 -0.1(19) . . . . ?
C8 N6 C7 N1 -0.1(19) . . . . ?
C9 N5 C1 O2 -1(2) . . . . ?
C9 N5 C1 C5 176.3(14) . . . . ?
C9 C10 C11 C12 -178(2) . . . . ?
C9 C10 C11 C14 -7(3) . . . . ?
C10 C11 C12 C13 -178.0(19) . . . . ?
C10 C11 C14 C16 179.1(17) . . . . ?
C11 C12 C13 C15 -8(3) . . . . ?
C11 C14 C16 C15 6(3) . . . . ?
O20 W6 O11 W2 -155.6(11) . . . . ?
O20 W6 O17 W4 157.1(11) . . . . ?
O21 W2 O8 W3 39.4(12) 2_666 . . 2_666 ?
O21 W2 O11 W6 -5.3(9) 2_666 . . . ?
O21 W5 O5 Co1 0(2) 2_666 . . . ?
O21 W5 O10 W2 -8.6(10) 2_666 . . . ?
O21 W5 O12 W3 -39.8(11) 2_666 . . . ?
O21 W5 O16 W6 5.2(9) 2_666 . . . ?
O21 W5 O18 W4 42.1(12) 2_666 . . 2_666 ?
O21 W6 O11 W2 5.2(9) 2_666 . . . ?
O21 W6 O17 W4 -40.0(12) 2_666 . . . ?
O21 Si1 O22 W3 -123.8(11) 2_666 . . . ?
O21 Si1 O22 W3 56.2(11) . . . . ?
O21 Si1 O22 W4 -62.8(10) . . . 2_666 ?
O21 Si1 O22 W4 117.2(10) 2_666 . . 2_666 ?
O21 Si1 O22 W5 -1.4(8) 2_666 . . . ?
O21 Si1 O22 W5 178.6(8) . . . . ?
O21 Si1 O23 W1 59.0(11) . . . 2_666 ?
O21 Si1 O23 W1 -121.0(11) 2_666 . . 2_666 ?
O21 Si1 O23 W2 -0.5(8) 2_666 . . . ?
O21 Si1 O23 W2 179.5(8) . . . . ?
O21 Si1 O23 W3 -59.9(12) . . . 2_666 ?
O21 Si1 O23 W3 120.1(12) 2_666 . . 2_666 ?
O21 Si1 O23 O21 180.000(3) . . . 2_666 ?
O21 Si1 O23 O24 60.0(9) . . . 2_666 ?
O21 Si1 O23 O24 -120.0(9) 2_666 . . 2_666 ?
O21 Si1 O24 W1 121.3(12) 2_666 . . . ?
O21 Si1 O24 W1 -58.7(12) . . . . ?
O21 Si1 O24 W4 63.2(11) . . . . ?
O21 Si1 O24 W4 -116.8(11) 2_666 . . . ?
O21 Si1 O24 W6 179.4(8) . . . . ?
O21 Si1 O24 W6 -0.6(8) 2_666 . . . ?
O21 Si1 O24 O23 122.3(9) 2_666 . . 2_666 ?
O21 Si1 O24 O23 -57.7(9) . . . 2_666 ?
O22 W3 O12 W5 6.4(9) . . . . ?
O22 W3 O15 W4 -6.1(11) . . . 2_666 ?
O22 W4 O17 W6 40.3(12) 2_666 . . . ?
O22 W4 O19 W1 -41.6(12) 2_666 . . . ?
O22 W5 O5 Co1 -174.1(12) . . . . ?
O22 W5 O10 W2 -43.3(12) . . . . ?
O22 W5 O12 W3 -6.4(9) . . . . ?
O22 W5 O16 W6 41.1(12) . . . . ?
O22 W5 O18 W4 5.6(10) . . . 2_666 ?
O22 Si1 O21 W2 -58.6(11) . . . 2_666 ?
O22 Si1 O21 W2 121.4(11) 2_666 . . 2_666 ?
O22 Si1 O21 W5 178.7(8) . . . 2_666 ?
O22 Si1 O21 W5 -1.3(8) 2_666 . . 2_666 ?
O22 Si1 O21 W6 -117.2(10) 2_666 . . 2_666 ?
O22 Si1 O21 W6 62.8(10) . . . 2_666 ?
O22 Si1 O21 O23 -58.1(9) . . . 2_666 ?
O22 Si1 O21 O23 121.9(9) 2_666 . . 2_666 ?
O22 Si1 O23 W1 118.0(12) 2_666 . . 2_666 ?
O22 Si1 O23 W1 -62.0(12) . . . 2_666 ?
O22 Si1 O23 W2 58.4(11) . . . . ?
O22 Si1 O23 W2 -121.6(11) 2_666 . . . ?
O22 Si1 O23 W3 179.1(9) . . . 2_666 ?
O22 Si1 O23 W3 -0.9(9) 2_666 . . 2_666 ?
O22 Si1 O23 O21 -121.0(9) 2_666 . . 2_666 ?
O22 Si1 O23 O21 59.0(9) . . . 2_666 ?
O22 Si1 O23 O24 -61.1(10) . . . 2_666 ?
O22 Si1 O23 O24 118.9(10) 2_666 . . 2_666 ?
O22 Si1 O24 W1 58.6(11) . . . . ?
O22 Si1 O24 W1 -121.4(11) 2_666 . . . ?
O22 Si1 O24 W4 -179.5(8) . . . . ?
O22 Si1 O24 W4 0.5(8) 2_666 . . . ?
O22 Si1 O24 W6 116.7(11) 2_666 . . . ?
O22 Si1 O24 W6 -63.3(11) . . . . ?
O22 Si1 O24 O23 59.6(9) . . . 2_666 ?
O22 Si1 O24 O23 -120.4(9) 2_666 . . 2_666 ?
O23 W1 O13 W6 -42.4(12) 2_666 . . . ?
O23 W1 O14 W3 6.2(8) 2_666 . . . ?
O23 W2 O8 W3 7.3(10) . . . 2_666 ?
O23 W2 O11 W6 -37.8(11) . . . . ?
O23 W3 O12 W5 39.4(11) 2_666 . . . ?
O23 W3 O15 W4 -39.6(13) 2_666 . . 2_666 ?
O23 Si1 O21 W2 -0.6(8) 2_666 . . 2_666 ?
O23 Si1 O21 W2 179.4(8) . . . 2_666 ?
O23 Si1 O21 W5 -123.3(11) 2_666 . . 2_666 ?
O23 Si1 O21 W5 56.7(11) . . . 2_666 ?
O23 Si1 O21 W6 120.8(11) 2_666 . . 2_666 ?
O23 Si1 O21 W6 -59.2(11) . . . 2_666 ?
O23 Si1 O21 O23 179.999(3) . . . 2_666 ?
O23 Si1 O22 W3 179.1(9) . . . . ?
O23 Si1 O22 W3 -0.9(9) 2_666 . . . ?
O23 Si1 O22 W4 -120.0(11) 2_666 . . 2_666 ?
O23 Si1 O22 W4 60.0(11) . . . 2_666 ?
O23 Si1 O22 W5 121.5(12) 2_666 . . . ?
O23 Si1 O22 W5 -58.5(12) . . . . ?
O23 Si1 O24 W1 -1.0(9) 2_666 . . . ?
O23 Si1 O24 W1 179.0(9) . . . . ?
O23 Si1 O24 W4 120.9(12) 2_666 . . . ?
O23 Si1 O24 W4 -59.1(12) . . . . ?
O23 Si1 O24 W6 57.1(12) . . . . ?
O23 Si1 O24 W6 -122.9(12) 2_666 . . . ?
O23 Si1 O24 O23 180.001(2) . . . 2_666 ?
O24 W1 O13 W6 -10.2(10) . . . . ?
O24 W1 O14 W3 37.9(10) . . . . ?
O24 W4 O17 W6 5.5(10) . . . . ?
O24 W4 O19 W1 -8.4(10) . . . . ?
O24 W6 O11 W2 37.2(11) . . . . ?
O24 W6 O17 W4 -5.5(10) . . . . ?
O24 Si1 O21 W2 -122.0(11) 2_666 . . 2_666 ?
O24 Si1 O21 W2 58.0(11) . . . 2_666 ?
O24 Si1 O21 W5 115.3(11) 2_666 . . 2_666 ?
O24 Si1 O21 W5 -64.7(11) . . . 2_666 ?
O24 Si1 O21 W6 -0.6(8) 2_666 . . 2_666 ?
O24 Si1 O21 W6 179.4(8) . . . 2_666 ?
O24 Si1 O21 O23 -121.4(9) 2_666 . . 2_666 ?
O24 Si1 O21 O23 58.6(9) . . . 2_666 ?
O24 Si1 O22 W3 -60.5(11) . . . . ?
O24 Si1 O22 W3 119.5(11) 2_666 . . . ?
O24 Si1 O22 W4 -179.5(8) . . . 2_666 ?
O24 Si1 O22 W4 0.5(8) 2_666 . . 2_666 ?
O24 Si1 O22 W5 61.9(11) . . . . ?
O24 Si1 O22 W5 -118.1(11) 2_666 . . . ?
O24 Si1 O23 W1 179.0(9) . . . 2_666 ?
O24 Si1 O23 W1 -1.0(9) 2_666 . . 2_666 ?
O24 Si1 O23 W2 -60.5(11) . . . . ?
O24 Si1 O23 W2 119.5(11) 2_666 . . . ?
O24 Si1 O23 W3 -119.8(13) 2_666 . . 2_666 ?
O24 Si1 O23 W3 60.2(13) . . . 2_666 ?
O24 Si1 O23 O21 -60.0(9) . . . 2_666 ?
O24 Si1 O23 O21 120.0(9) 2_666 . . 2_666 ?
O24 Si1 O23 O24 180.000(2) . . . 2_666 ?
C12 C11 C14 C16 -10(3) . . . . ?
C12 C13 C15 N4 -179.6(16) . . . 1_645 ?
C12 C13 C15 C16 3(3) . . . . ?
C13 C15 C16 C14 -3(3) . . . . ?
C14 C11 C12 C13 11(3) . . . . ?
C15 N4 C6 O1 2(2) 1_465 . . . ?
C15 N4 C6 C3 -176.7(13) 1_465 . . . ?

_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 0.000 0.000 0.500 345.3 81.3 '8 H2O'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_1_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2108019'
loop_
_audit_author_name
_audit_author_address
'Li lei'
;Bohai university
China
;
_audit_update_record             
;
2021-12-20 deposited with the CCDC.	2022-01-20 downloaded from the CCDC.
;
_audit_creation_date             2021-12-20
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'O40 Si W12, C26 H26 Co N8 O4'
_chemical_formula_sum            'C26 H26 Co N8 O44 Si W12'
_chemical_formula_weight         3447.77
_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'
Co Co 0.3494 0.9721 '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'
Si Si 0.0817 0.0704 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.4696(14)
_cell_length_b                   13.3599(14)
_cell_length_c                   20.487(2)
_cell_angle_alpha                86.843(2)
_cell_angle_beta                 73.656(2)
_cell_angle_gamma                85.335(2)
_cell_volume                     3262.4(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    5197
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      28.22
_cell_measurement_theta_min      2.21
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    21.421
_exptl_absorpt_correction_T_max  0.87
_exptl_absorpt_correction_T_min  0.86
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Krause et al., 2015) was used for absorption correction.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    3.510
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3038
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0396
_diffrn_reflns_av_unetI/netI     0.0825
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            23686
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.285
_diffrn_reflns_theta_min         1.530
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'Bruker APEX II'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device       'three-circle diffractometer'
_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_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11020
_reflns_number_total             16004
_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+ Ver. 2016.5-0 (Bruker-AXS, 2016)'
_computing_data_collection       'APEX3 Ver. 2016.5-0 (Bruker-AXS, 2016)'
_computing_data_reduction        'SAINT+ Ver. 2016.5-0 (Bruker-AXS, 2016)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'XT (Sheldrick, 2015a)'
_refine_diff_density_max         2.295
_refine_diff_density_min         -2.014
_refine_diff_density_rms         0.332
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.969
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     831
_refine_ls_number_reflns         16004
_refine_ls_number_restraints     8
_refine_ls_R_factor_all          0.0714
_refine_ls_R_factor_gt           0.0413
_refine_ls_restrained_S_all      6.499
_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)+(0.0219P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0797
_refine_ls_wR_factor_ref         0.0882
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Restrained distances
 O11-N6
 3 with sigma of 0.02
 O11-N6
 3.3 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
Uanis(C5) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4.a Rotating group:
 O2W(H2WA,H2WB), O1W(H1WA,H1WB)
4.b Aromatic/amide H refined with riding coordinates:
 N3(H3), N6(H6), N8(H8), N4(H4), N5(H5), C6(H6A), C14(H14), C16(H16), C20(H20),
  C22(H22), C13(H13), C2(H2), C17(H17), C9(H9), C19(H19), N7(H7), C5(H5A),
 C21(H21), C11(H11), C23(H23), C3(H3A), C25(H25)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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 0.62793(4) 0.83296(3) 0.92577(2) 0.01866(10) Uani 1 1 d . . . . .
W4 W 0.41426(4) 0.97014(3) 0.88862(2) 0.01841(9) Uani 1 1 d . . . . .
W6 W 0.66332(4) 1.06847(3) 0.85814(2) 0.01943(10) Uani 1 1 d . . . . .
W8 W 0.90285(4) 0.97093(3) 0.71913(2) 0.02109(10) Uani 1 1 d . . . . .
W10 W 0.63491(4) 0.93726(3) 0.58287(2) 0.02321(11) Uani 1 1 d . . . . .
W12 W 0.66892(4) 1.12369(3) 0.67761(2) 0.02243(10) Uani 1 1 d . . . . .
W3 W 0.37673(4) 0.76879(3) 0.78154(2) 0.02379(11) Uani 1 1 d . . . . .
W7 W 0.87138(4) 0.78471(3) 0.62319(2) 0.02304(11) Uani 1 1 d . . . . .
W2 W 0.59037(4) 0.62984(3) 0.81952(2) 0.02456(11) Uani 1 1 d . . . . .
W9 W 0.41798(4) 1.02818(3) 0.70918(2) 0.02329(10) Uani 1 1 d . . . . .
W5 W 0.86670(4) 0.73523(3) 0.78713(2) 0.02227(10) Uani 1 1 d . . . . .
W11 W 0.59399(4) 0.67927(3) 0.65630(2) 0.02462(11) Uani 1 1 d . . . . .
Co1 Co 0.78800(14) 0.58752(12) 0.26619(7) 0.0297(4) Uani 1 1 d . . . . .
Si1 Si 0.6354(2) 0.87742(17) 0.75241(12) 0.0053(5) Uani 1 1 d . . . . .
O3 O 0.4040(5) 1.0326(5) 0.8036(3) 0.0198(16) Uani 1 1 d . . . . .
O4 O 0.6431(6) 1.1243(5) 0.7744(3) 0.0199(16) Uani 1 1 d . . . . .
O6 O 0.3785(6) 0.8510(5) 0.8558(3) 0.0230(17) Uani 1 1 d . . . . .
O8 O 0.5786(6) 0.7234(5) 0.8894(3) 0.0213(16) Uani 1 1 d . . . . .
O10 O 0.8063(6) 1.0178(5) 0.8033(3) 0.0222(16) Uani 1 1 d . . . . .
O12 O 0.7465(6) 0.6533(5) 0.7922(3) 0.0240(17) Uani 1 1 d . . . . .
O14 O 0.3815(6) 0.8912(5) 0.7299(3) 0.0257(17) Uani 1 1 d . . . . .
O16 O 0.8110(6) 1.0544(5) 0.6763(3) 0.0251(17) Uani 1 1 d . . . . .
O18 O 0.4757(6) 0.8898(5) 0.9511(3) 0.0247(17) Uani 1 1 d . . . . .
O20 O 0.5047(6) 1.0747(5) 0.8976(3) 0.0207(16) Uani 1 1 d . . . . .
O22 O 0.9509(6) 0.8550(5) 0.7677(3) 0.0216(16) Uani 1 1 d . . . . .
O24 O 0.7774(6) 0.8801(5) 0.5861(3) 0.0257(17) Uani 1 1 d . . . . .
O26 O 0.5090(6) 1.1400(5) 0.6917(3) 0.0258(17) Uani 1 1 d . . . . .
O28 O 0.4335(6) 0.6575(5) 0.8293(3) 0.0229(17) Uani 1 1 d . . . . .
O30 O 0.6772(5) 0.9667(5) 0.9260(3) 0.0156(15) Uani 1 1 d . . . . .
O32 O 0.4359(6) 0.6950(6) 0.7002(3) 0.0295(19) Uani 1 1 d . . . . .
O34 O 0.6085(6) 0.5860(5) 0.7289(4) 0.0254(17) Uani 1 1 d . . . . .
O36 O 0.9232(6) 0.7070(5) 0.6915(4) 0.0288(18) Uani 1 1 d . . . . .
O38 O 0.7503(6) 0.6993(5) 0.6382(3) 0.0243(17) Uani 1 1 d . . . . .
O2 O 0.8388(7) 0.6890(6) 0.1797(4) 0.0305(19) Uani 1 1 d . . . . .
O42 O 0.7749(6) 0.7959(5) 0.8668(3) 0.0235(17) Uani 1 1 d . . . . .
O44 O 0.4824(6) 0.9921(5) 0.6149(3) 0.0280(18) Uani 1 1 d . . . . .
O11 O 0.2889(6) 1.0099(5) 0.9392(3) 0.0243(17) Uani 1 1 d D . . . .
O23 O 0.6402(6) 0.7842(5) 1.0022(3) 0.0249(17) Uani 1 1 d . . . . .
O1 O 0.7118(7) 0.5029(5) 0.3574(4) 0.0295(19) Uani 1 1 d . . . . .
O25 O 0.7038(7) 1.2430(5) 0.6522(4) 0.0315(19) Uani 1 1 d . . . . .
O13 O 0.9519(6) 0.8930(6) 0.6376(3) 0.0290(19) Uani 1 1 d . . . . .
O27 O 0.6824(6) 1.0673(5) 0.5903(3) 0.0251(17) Uani 1 1 d . . . . .
O7 O 0.5833(7) 0.8066(5) 0.6108(3) 0.0272(18) Uani 1 1 d . . . . .
O29 O 0.5712(6) 0.7747(4) 0.7524(3) 0.0153(15) Uani 1 1 d . . . . .
N3 N 0.4740(8) 0.6490(7) 0.2220(4) 0.029(2) Uani 1 1 d . . . . .
H3 H 0.404205 0.645101 0.225302 0.035 Uiso 1 1 calc R U . . .
O15 O 1.0165(6) 1.0390(6) 0.7080(4) 0.0310(19) Uani 1 1 d . . . . .
O31 O 0.2386(7) 0.7442(6) 0.8010(4) 0.036(2) Uani 1 1 d . . . . .
O21 O 0.9564(7) 0.6570(6) 0.8181(4) 0.038(2) Uani 1 1 d . . . . .
O33 O 0.9640(7) 0.7367(6) 0.5515(4) 0.036(2) Uani 1 1 d . . . . .
N2 N 0.6331(8) 0.6320(7) 0.2484(4) 0.025(2) Uani 1 1 d . . . . .
N6 N 1.0980(8) 0.9613(7) 0.0568(5) 0.034(3) Uani 1 1 d D . . . .
H6 H 1.166285 0.971916 0.035367 0.041 Uiso 1 1 calc R U . . .
O17 O 0.6022(6) 0.9608(5) 0.6997(3) 0.0186(16) Uani 1 1 d . . . . .
O35 O 0.6450(7) 0.9409(6) 0.4972(3) 0.0328(19) Uani 1 1 d . . . . .
N8 N 0.6676(8) 0.1335(6) 0.4238(4) 0.025(2) Uani 1 1 d . . . . .
H8 H 0.630532 0.080621 0.434417 0.030 Uiso 1 1 calc R U . . .
O9 O 0.2911(7) 1.0842(6) 0.7060(4) 0.038(2) Uani 1 1 d . . . . .
N4 N 0.7805(7) 0.7619(6) 0.0926(4) 0.026(2) Uani 1 1 d . . . . .
H4 H 0.723890 0.780370 0.077557 0.031 Uiso 1 1 calc R U . . .
O37 O 0.6989(7) 1.1698(6) 0.8926(4) 0.034(2) Uani 1 1 d . . . . .
O19 O 0.5982(7) 0.5970(6) 0.5946(4) 0.035(2) Uani 1 1 d . . . . .
C1 C 0.8895(9) 0.7852(8) 0.0526(5) 0.024(2) Uani 1 1 d . . . . .
N5 N 0.7048(9) 0.4817(7) 0.4695(4) 0.039(3) Uani 1 1 d . . . . .
H5 H 0.725285 0.504990 0.502047 0.047 Uiso 1 1 calc R U . . .
C4 C 0.9428(9) 0.8612(8) 0.0734(5) 0.021(2) Uani 1 1 d . . . . .
O39 O 0.5903(7) 0.5175(5) 0.8624(4) 0.040(2) Uani 1 1 d . . . . .
O5 O 0.7693(6) 0.8522(5) 0.7291(3) 0.0179(15) Uani 1 1 d . . . . .
C6 C 0.7886(10) 0.2979(8) 0.3870(6) 0.032(3) Uani 1 1 d . . . . .
H6A H 0.832248 0.352836 0.375120 0.038 Uiso 1 1 calc R U . . .
C8 C 0.6307(9) 0.2169(7) 0.4616(5) 0.023(2) Uani 1 1 d . . . . .
C10 C 0.6489(10) 0.3914(8) 0.4832(5) 0.028(3) Uani 1 1 d . . . . .
C12 C 0.7289(10) 0.5353(8) 0.4086(5) 0.027(3) Uani 1 1 d . . . . .
C14 C 0.8946(10) 0.9223(8) 0.1302(5) 0.026(3) Uani 1 1 d . . . . .
H14 H 0.824410 0.909040 0.158674 0.031 Uiso 1 1 calc R U . . .
C16 C 0.8201(9) 0.2144(8) 0.3509(6) 0.029(3) Uani 1 1 d . . . . .
H16 H 0.882134 0.212681 0.312861 0.035 Uiso 1 1 calc R U . . .
C18 C 1.0531(10) 0.8814(9) 0.0323(5) 0.029(3) Uani 1 1 d . . . . .
C20 C 0.5022(10) 0.2969(9) 0.5562(6) 0.033(3) Uani 1 1 d . . . . .
H20 H 0.440732 0.294447 0.594428 0.039 Uiso 1 1 calc R U . . .
C22 C 0.5271(11) 0.6113(9) 0.2672(6) 0.038(3) Uani 1 1 d . . . . .
H22 H 0.493448 0.575130 0.306820 0.045 Uiso 1 1 calc R U . . .
C24 C 0.7784(10) 0.6291(9) 0.4070(6) 0.028(3) Uani 1 1 d . . . . .
C26 C 0.6474(10) 0.6848(8) 0.1860(5) 0.027(3) Uani 1 1 d . . . . .
C13 C 0.5491(9) 0.6945(8) 0.1700(6) 0.027(3) Uani 1 1 d . . . . .
H13 H 0.535599 0.725980 0.131206 0.032 Uiso 1 1 calc R U . . .
C7 C 0.7633(9) 0.7126(8) 0.1523(5) 0.022(2) Uani 1 1 d . . . . .
N1 N 0.8053(8) 0.6783(6) 0.3420(5) 0.031(2) Uani 1 1 d . . . . .
C15 C 0.6900(10) 0.3050(8) 0.4432(5) 0.026(3) Uani 1 1 d . . . . .
C2 C 0.5367(9) 0.2149(8) 0.5188(5) 0.022(2) Uani 1 1 d . . . . .
H2 H 0.498329 0.156772 0.530788 0.026 Uiso 1 1 calc R U . . .
C17 C 0.5561(10) 0.3849(8) 0.5392(5) 0.032(3) Uani 1 1 d . . . . .
H17 H 0.529647 0.440795 0.565693 0.038 Uiso 1 1 calc R U . . .
C9 C 0.7589(11) 0.1314(9) 0.3712(6) 0.035(3) Uani 1 1 d . . . . .
H9 H 0.781916 0.072481 0.347521 0.042 Uiso 1 1 calc R U . . .
C19 C 0.8073(12) 0.6874(10) 0.4506(7) 0.051(4) Uani 1 1 d . . . . .
H19 H 0.798772 0.673315 0.496674 0.061 Uiso 1 1 calc R U . . .
N7 N 0.8511(11) 0.7698(8) 0.4146(6) 0.055(4) Uani 1 1 d . . . . .
H7 H 0.876501 0.818595 0.430119 0.066 Uiso 1 1 calc R U . . .
C5 C 1.0538(10) 1.0182(9) 0.1044(6) 0.031(3) Uani 1 1 d . U . . .
H5A H 1.090600 1.071646 0.113145 0.037 Uiso 1 1 calc R U . . .
O41 O 0.5991(6) 0.9200(5) 0.8279(3) 0.0194(16) Uani 1 1 d . . . . .
C21 C 0.8475(11) 0.7612(9) 0.3496(7) 0.042(3) Uani 1 1 d . . . . .
H21 H 0.872208 0.808799 0.314812 0.051 Uiso 1 1 calc R U . . .
C11 C 0.9473(10) 0.9984(10) 0.1440(6) 0.035(3) Uani 1 1 d . . . . .
H11 H 0.911884 1.038597 0.180630 0.042 Uiso 1 1 calc R U . . .
C23 C 1.1059(11) 0.8268(11) -0.0263(7) 0.050(4) Uani 1 1 d . . . . .
H23 H 1.179107 0.837431 -0.051280 0.060 Uiso 1 1 calc R U . . .
C3 C 0.9399(11) 0.7388(10) -0.0067(6) 0.045(4) Uani 1 1 d . . . . .
H3A H 0.901373 0.692463 -0.021868 0.054 Uiso 1 1 calc R U . . .
C25 C 1.0472(13) 0.7585(9) -0.0454(6) 0.050(4) Uani 1 1 d . . . . .
H25 H 1.079411 0.724113 -0.085193 0.060 Uiso 1 1 calc R U . . .
O2W O 0.8015(9) 0.4697(7) 0.1968(5) 0.062(3) Uani 1 1 d . . . . .
H2WA H 0.816167 0.412799 0.215089 0.092 Uiso 1 1 d R U . . .
H2WB H 0.859042 0.477055 0.162570 0.092 Uiso 1 1 d R U . . .
O1W O 0.9527(9) 0.5284(9) 0.2597(6) 0.084(4) Uani 1 1 d . . . . .
H1WA H 0.962690 0.469686 0.243186 0.126 Uiso 1 1 d R U . . .
H1WB H 0.959962 0.518007 0.299965 0.126 Uiso 1 1 d R 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 O8 1.898(7) . ?
W1 O18 1.925(7) . ?
W1 O30 1.936(6) . ?
W1 O42 1.932(7) . ?
W1 O23 1.704(7) . ?
W1 O41 2.363(7) . ?
W4 O3 1.922(7) . ?
W4 O6 1.894(7) . ?
W4 O18 1.910(7) . ?
W4 O20 1.912(7) . ?
W4 O11 1.677(7) . ?
W4 O41 2.353(7) . ?
W6 O4 1.906(6) . ?
W6 O10 1.913(7) . ?
W6 O20 1.911(7) . ?
W6 O30 1.925(6) . ?
W6 O37 1.705(7) . ?
W6 O41 2.372(6) . ?
W8 O10 1.909(6) . ?
W8 O16 1.891(7) . ?
W8 O22 1.940(7) . ?
W8 O13 1.939(7) . ?
W8 O15 1.702(7) . ?
W8 O5 2.353(7) . ?
W10 O24 1.894(8) . ?
W10 O44 1.926(8) . ?
W10 O27 1.908(7) . ?
W10 O7 1.911(7) . ?
W10 O17 2.347(7) . ?
W10 O35 1.722(7) . ?
W12 O4 1.918(6) . ?
W12 O16 1.925(7) . ?
W12 O26 1.929(8) . ?
W12 O25 1.701(7) . ?
W12 O27 1.937(7) . ?
W12 O17 2.367(6) . ?
W3 O6 1.931(7) . ?
W3 O14 1.894(7) . ?
W3 O28 1.931(7) . ?
W3 O32 1.913(7) . ?
W3 O29 2.336(7) . ?
W3 O31 1.710(8) . ?
W7 O24 1.930(7) . ?
W7 O36 1.922(8) . ?
W7 O38 1.913(7) . ?
W7 O13 1.908(7) . ?
W7 O33 1.712(7) . ?
W7 O5 2.369(6) . ?
W2 O8 1.919(7) . ?
W2 O12 1.915(7) . ?
W2 O28 1.917(7) . ?
W2 O34 1.924(7) . ?
W2 O29 2.347(6) . ?
W2 O39 1.697(8) . ?
W9 O3 1.896(6) . ?
W9 O14 1.917(7) . ?
W9 O26 1.907(7) . ?
W9 O44 1.944(7) . ?
W9 O17 2.357(7) . ?
W9 O9 1.711(8) . ?
W5 O12 1.904(7) . ?
W5 O22 1.946(7) . ?
W5 O36 1.933(7) . ?
W5 O42 1.891(7) . ?
W5 O21 1.698(8) . ?
W5 O5 2.373(7) . ?
W11 O32 1.922(8) . ?
W11 O34 1.925(7) . ?
W11 O38 1.917(7) . ?
W11 O7 1.908(7) . ?
W11 O29 2.341(6) . ?
W11 O19 1.708(7) . ?
Co1 O2 2.150(7) . ?
Co1 O1 2.149(7) . ?
Co1 N2 2.098(9) . ?
Co1 N1 2.090(9) . ?
Co1 O2W 2.144(9) . ?
Co1 O1W 2.110(10) . ?
Si1 O29 1.645(6) . ?
Si1 O17 1.620(7) . ?
Si1 O5 1.614(7) . ?
Si1 O41 1.607(7) . ?
O2 C7 1.236(13) . ?
O1 C12 1.233(12) . ?
N3 H3 0.8600 . ?
N3 C22 1.338(15) . ?
N3 C13 1.356(13) . ?
N2 C22 1.317(14) . ?
N2 C26 1.399(13) . ?
N6 H6 0.8600 . ?
N6 C18 1.421(14) . ?
N6 C5 1.244(14) . ?
N8 H8 0.8600 . ?
N8 C8 1.364(13) . ?
N8 C9 1.329(14) . ?
N4 H4 0.8600 . ?
N4 C1 1.425(13) . ?
N4 C7 1.329(12) . ?
C1 C4 1.405(15) . ?
C1 C3 1.358(15) . ?
N5 H5 0.8600 . ?
N5 C10 1.417(14) . ?
N5 C12 1.373(13) . ?
C4 C14 1.420(14) . ?
C4 C18 1.434(15) . ?
C6 H6A 0.9300 . ?
C6 C16 1.343(15) . ?
C6 C15 1.429(15) . ?
C8 C15 1.418(15) . ?
C8 C2 1.407(14) . ?
C10 C15 1.429(15) . ?
C10 C17 1.385(15) . ?
C12 C24 1.436(15) . ?
C14 H14 0.9300 . ?
C14 C11 1.338(15) . ?
C16 H16 0.9300 . ?
C16 C9 1.376(16) . ?
C18 C23 1.407(17) . ?
C20 H20 0.9300 . ?
C20 C2 1.343(15) . ?
C20 C17 1.381(15) . ?
C22 H22 0.9300 . ?
C24 N1 1.416(13) . ?
C24 C19 1.356(16) . ?
C26 C13 1.350(15) . ?
C26 C7 1.483(15) . ?
C13 H13 0.9300 . ?
N1 C21 1.299(14) . ?
C2 H2 0.9300 . ?
C17 H17 0.9300 . ?
C9 H9 0.9300 . ?
C19 H19 0.9300 . ?
C19 N7 1.355(15) . ?
N7 H7 0.8600 . ?
N7 C21 1.356(16) . ?
C5 H5A 0.9300 . ?
C5 C11 1.385(16) . ?
C21 H21 0.9300 . ?
C11 H11 0.9300 . ?
C23 H23 0.9300 . ?
C23 C25 1.352(19) . ?
C3 H3A 0.9300 . ?
C3 C25 1.387(17) . ?
C25 H25 0.9300 . ?
O2W H2WA 0.8586 . ?
O2W H2WB 0.8584 . ?
O1W H1WA 0.8576 . ?
O1W H1WB 0.8578 . ?

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
O8 W1 O18 88.5(3) . . ?
O8 W1 O30 156.2(3) . . ?
O8 W1 O42 86.1(3) . . ?
O8 W1 O41 83.2(3) . . ?
O18 W1 O30 88.6(3) . . ?
O18 W1 O42 157.9(3) . . ?
O18 W1 O41 73.5(3) . . ?
O30 W1 O41 73.4(2) . . ?
O42 W1 O30 87.7(3) . . ?
O42 W1 O41 84.5(3) . . ?
O23 W1 O8 102.4(3) . . ?
O23 W1 O18 101.1(3) . . ?
O23 W1 O30 101.3(3) . . ?
O23 W1 O42 101.1(3) . . ?
O23 W1 O41 172.3(3) . . ?
O3 W4 O41 84.9(3) . . ?
O6 W4 O3 86.0(3) . . ?
O6 W4 O18 88.9(3) . . ?
O6 W4 O20 157.7(3) . . ?
O6 W4 O41 84.2(3) . . ?
O18 W4 O3 158.8(3) . . ?
O18 W4 O20 88.1(3) . . ?
O18 W4 O41 74.0(3) . . ?
O20 W4 O3 88.8(3) . . ?
O20 W4 O41 73.8(3) . . ?
O11 W4 O3 99.8(3) . . ?
O11 W4 O6 101.0(3) . . ?
O11 W4 O18 101.4(3) . . ?
O11 W4 O20 101.3(3) . . ?
O11 W4 O41 173.2(3) . . ?
O4 W6 O10 84.8(3) . . ?
O4 W6 O20 90.4(3) . . ?
O4 W6 O30 158.1(3) . . ?
O4 W6 O41 85.3(3) . . ?
O10 W6 O30 87.9(3) . . ?
O10 W6 O41 84.2(3) . . ?
O20 W6 O10 157.3(3) . . ?
O20 W6 O30 88.5(3) . . ?
O20 W6 O41 73.3(3) . . ?
O30 W6 O41 73.3(2) . . ?
O37 W6 O4 102.0(3) . . ?
O37 W6 O10 101.4(3) . . ?
O37 W6 O20 101.3(3) . . ?
O37 W6 O30 99.7(3) . . ?
O37 W6 O41 171.1(3) . . ?
O10 W8 O22 89.3(3) . . ?
O10 W8 O13 157.9(3) . . ?
O10 W8 O5 84.7(3) . . ?
O16 W8 O10 86.6(3) . . ?
O16 W8 O22 158.8(3) . . ?
O16 W8 O13 88.6(3) . . ?
O16 W8 O5 85.0(3) . . ?
O22 W8 O5 74.0(3) . . ?
O13 W8 O22 87.5(3) . . ?
O13 W8 O5 73.4(3) . . ?
O15 W8 O10 102.5(3) . . ?
O15 W8 O16 102.6(4) . . ?
O15 W8 O22 98.6(3) . . ?
O15 W8 O13 99.6(3) . . ?
O15 W8 O5 169.7(3) . . ?
O24 W10 O44 159.0(3) . . ?
O24 W10 O27 89.4(3) . . ?
O24 W10 O7 85.9(3) . . ?
O24 W10 O17 85.4(3) . . ?
O44 W10 O17 73.9(3) . . ?
O27 W10 O44 88.3(3) . . ?
O27 W10 O7 158.5(3) . . ?
O27 W10 O17 73.9(3) . . ?
O7 W10 O44 88.6(3) . . ?
O7 W10 O17 84.8(3) . . ?
O35 W10 O24 103.0(3) . . ?
O35 W10 O44 98.0(3) . . ?
O35 W10 O27 99.5(3) . . ?
O35 W10 O7 102.0(3) . . ?
O35 W10 O17 169.4(3) . . ?
O4 W12 O16 85.6(3) . . ?
O4 W12 O26 88.6(3) . . ?
O4 W12 O27 156.8(3) . . ?
O4 W12 O17 84.2(3) . . ?
O16 W12 O26 157.0(3) . . ?
O16 W12 O27 88.1(3) . . ?
O16 W12 O17 83.9(3) . . ?
O26 W12 O27 88.6(3) . . ?
O26 W12 O17 73.4(3) . . ?
O25 W12 O4 103.0(3) . . ?
O25 W12 O16 102.9(3) . . ?
O25 W12 O26 100.1(3) . . ?
O25 W12 O27 100.1(3) . . ?
O25 W12 O17 170.3(3) . . ?
O27 W12 O17 72.9(3) . . ?
O6 W3 O28 87.3(3) . . ?
O6 W3 O29 84.3(3) . . ?
O14 W3 O6 85.5(3) . . ?
O14 W3 O28 156.6(3) . . ?
O14 W3 O32 90.8(3) . . ?
O14 W3 O29 84.3(3) . . ?
O28 W3 O29 72.9(3) . . ?
O32 W3 O6 157.5(3) . . ?
O32 W3 O28 87.4(3) . . ?
O32 W3 O29 73.3(3) . . ?
O31 W3 O6 102.0(3) . . ?
O31 W3 O14 102.8(4) . . ?
O31 W3 O28 100.4(4) . . ?
O31 W3 O32 100.4(3) . . ?
O31 W3 O29 170.8(3) . . ?
O24 W7 O5 84.4(3) . . ?
O36 W7 O24 157.8(3) . . ?
O36 W7 O5 73.8(3) . . ?
O38 W7 O24 85.0(3) . . ?
O38 W7 O36 89.0(3) . . ?
O38 W7 O5 84.7(3) . . ?
O13 W7 O24 89.1(3) . . ?
O13 W7 O36 88.5(3) . . ?
O13 W7 O38 157.9(3) . . ?
O13 W7 O5 73.5(3) . . ?
O33 W7 O24 102.5(3) . . ?
O33 W7 O36 99.7(3) . . ?
O33 W7 O38 102.1(3) . . ?
O33 W7 O13 100.0(3) . . ?
O33 W7 O5 170.6(3) . . ?
O8 W2 O34 157.0(3) . . ?
O8 W2 O29 84.2(2) . . ?
O12 W2 O8 85.5(3) . . ?
O12 W2 O28 157.3(3) . . ?
O12 W2 O34 87.8(3) . . ?
O12 W2 O29 84.7(3) . . ?
O28 W2 O8 88.7(3) . . ?
O28 W2 O34 89.1(3) . . ?
O28 W2 O29 72.8(2) . . ?
O34 W2 O29 73.3(3) . . ?
O39 W2 O8 102.3(3) . . ?
O39 W2 O12 101.7(4) . . ?
O39 W2 O28 101.0(4) . . ?
O39 W2 O34 100.5(3) . . ?
O39 W2 O29 171.1(3) . . ?
O3 W9 O14 84.4(3) . . ?
O3 W9 O26 90.4(3) . . ?
O3 W9 O44 158.2(3) . . ?
O3 W9 O17 85.4(3) . . ?
O14 W9 O44 88.1(3) . . ?
O14 W9 O17 83.5(3) . . ?
O26 W9 O14 157.3(3) . . ?
O26 W9 O44 88.6(3) . . ?
O26 W9 O17 74.0(3) . . ?
O44 W9 O17 73.4(3) . . ?
O9 W9 O3 100.7(3) . . ?
O9 W9 O14 101.0(4) . . ?
O9 W9 O26 101.6(4) . . ?
O9 W9 O44 100.9(4) . . ?
O9 W9 O17 172.7(3) . . ?
O12 W5 O22 157.5(3) . . ?
O12 W5 O36 88.4(3) . . ?
O12 W5 O5 84.3(3) . . ?
O22 W5 O5 73.4(3) . . ?
O36 W5 O22 87.7(3) . . ?
O36 W5 O5 73.5(3) . . ?
O42 W5 O12 87.1(3) . . ?
O42 W5 O22 88.4(3) . . ?
O42 W5 O36 158.3(3) . . ?
O42 W5 O5 84.9(3) . . ?
O21 W5 O12 102.8(4) . . ?
O21 W5 O22 99.6(4) . . ?
O21 W5 O36 99.6(3) . . ?
O21 W5 O42 102.2(3) . . ?
O21 W5 O5 170.1(3) . . ?
O32 W11 O34 88.5(3) . . ?
O32 W11 O29 73.0(3) . . ?
O34 W11 O29 73.4(2) . . ?
O38 W11 O32 158.2(3) . . ?
O38 W11 O34 88.2(3) . . ?
O38 W11 O29 85.3(3) . . ?
O7 W11 O32 89.0(3) . . ?
O7 W11 O34 157.4(3) . . ?
O7 W11 O38 85.9(3) . . ?
O7 W11 O29 84.4(2) . . ?
O19 W11 O32 101.4(3) . . ?
O19 W11 O34 100.0(3) . . ?
O19 W11 O38 100.4(3) . . ?
O19 W11 O7 102.6(3) . . ?
O19 W11 O29 171.2(3) . . ?
O1 Co1 O2 170.2(3) . . ?
N2 Co1 O2 79.0(3) . . ?
N2 Co1 O1 92.8(3) . . ?
N2 Co1 O2W 86.8(4) . . ?
N2 Co1 O1W 165.7(4) . . ?
N1 Co1 O2 99.2(3) . . ?
N1 Co1 O1 77.9(3) . . ?
N1 Co1 N2 107.0(4) . . ?
N1 Co1 O2W 165.3(4) . . ?
N1 Co1 O1W 86.4(4) . . ?
O2W Co1 O2 88.3(3) . . ?
O2W Co1 O1 96.7(3) . . ?
O1W Co1 O2 94.2(4) . . ?
O1W Co1 O1 94.9(4) . . ?
O1W Co1 O2W 80.5(4) . . ?
O17 Si1 O29 109.7(4) . . ?
O5 Si1 O29 109.7(4) . . ?
O5 Si1 O17 109.0(3) . . ?
O41 Si1 O29 109.3(3) . . ?
O41 Si1 O17 110.0(4) . . ?
O41 Si1 O5 109.2(4) . . ?
W9 O3 W4 151.8(4) . . ?
W6 O4 W12 152.3(4) . . ?
W4 O6 W3 150.9(4) . . ?
W1 O8 W2 152.7(4) . . ?
W8 O10 W6 151.5(4) . . ?
W5 O12 W2 151.4(4) . . ?
W3 O14 W9 153.5(4) . . ?
W8 O16 W12 150.8(4) . . ?
W4 O18 W1 121.8(3) . . ?
W6 O20 W4 122.5(3) . . ?
W8 O22 W5 121.1(3) . . ?
W10 O24 W7 151.6(4) . . ?
W9 O26 W12 122.0(4) . . ?
W2 O28 W3 122.3(3) . . ?
W6 O30 W1 122.1(3) . . ?
W3 O32 W11 122.0(4) . . ?
W2 O34 W11 121.6(3) . . ?
W7 O36 W5 122.0(4) . . ?
W7 O38 W11 151.5(4) . . ?
C7 O2 Co1 112.9(7) . . ?
W5 O42 W1 150.2(4) . . ?
W10 O44 W9 121.2(4) . . ?
C12 O1 Co1 112.7(7) . . ?
W7 O13 W8 122.2(4) . . ?
W10 O27 W12 122.1(4) . . ?
W11 O7 W10 151.2(5) . . ?
W3 O29 W2 92.0(2) . . ?
W3 O29 W11 91.7(2) . . ?
W11 O29 W2 91.6(2) . . ?
Si1 O29 W3 124.0(3) . . ?
Si1 O29 W2 123.8(4) . . ?
Si1 O29 W11 124.3(3) . . ?
C22 N3 H3 125.8 . . ?
C22 N3 C13 108.4(10) . . ?
C13 N3 H3 125.8 . . ?
C22 N2 Co1 141.9(8) . . ?
C22 N2 C26 104.9(10) . . ?
C26 N2 Co1 111.2(7) . . ?
C18 N6 H6 115.0 . . ?
C5 N6 H6 115.0 . . ?
C5 N6 C18 129.9(10) . . ?
W10 O17 W12 91.1(2) . . ?
W10 O17 W9 91.6(3) . . ?
W9 O17 W12 90.5(2) . . ?
Si1 O17 W10 124.2(3) . . ?
Si1 O17 W12 125.2(4) . . ?
Si1 O17 W9 124.1(3) . . ?
C8 N8 H8 118.9 . . ?
C9 N8 H8 118.9 . . ?
C9 N8 C8 122.1(10) . . ?
C1 N4 H4 118.9 . . ?
C7 N4 H4 118.9 . . ?
C7 N4 C1 122.3(9) . . ?
C4 C1 N4 119.0(10) . . ?
C3 C1 N4 121.2(10) . . ?
C3 C1 C4 119.6(10) . . ?
C10 N5 H5 117.2 . . ?
C12 N5 H5 117.2 . . ?
C12 N5 C10 125.6(9) . . ?
C1 C4 C14 125.2(10) . . ?
C1 C4 C18 117.4(10) . . ?
C14 C4 C18 117.3(10) . . ?
W8 O5 W7 91.0(2) . . ?
W8 O5 W5 91.5(2) . . ?
W7 O5 W5 90.6(2) . . ?
Si1 O5 W8 124.6(3) . . ?
Si1 O5 W7 124.8(4) . . ?
Si1 O5 W5 124.2(3) . . ?
C16 C6 H6A 119.0 . . ?
C16 C6 C15 122.0(11) . . ?
C15 C6 H6A 119.0 . . ?
N8 C8 C15 119.1(9) . . ?
N8 C8 C2 120.5(9) . . ?
C2 C8 C15 120.4(10) . . ?
N5 C10 C15 121.5(10) . . ?
C17 C10 N5 119.2(10) . . ?
C17 C10 C15 119.1(10) . . ?
O1 C12 N5 121.5(10) . . ?
O1 C12 C24 121.9(10) . . ?
N5 C12 C24 116.6(10) . . ?
C4 C14 H14 119.0 . . ?
C11 C14 C4 121.9(11) . . ?
C11 C14 H14 119.0 . . ?
C6 C16 H16 120.7 . . ?
C6 C16 C9 118.7(11) . . ?
C9 C16 H16 120.7 . . ?
N6 C18 C4 112.7(10) . . ?
C23 C18 N6 126.0(11) . . ?
C23 C18 C4 121.2(11) . . ?
C2 C20 H20 119.3 . . ?
C2 C20 C17 121.4(10) . . ?
C17 C20 H20 119.3 . . ?
N3 C22 H22 124.4 . . ?
N2 C22 N3 111.2(10) . . ?
N2 C22 H22 124.4 . . ?
N1 C24 C12 113.6(10) . . ?
C19 C24 C12 138.4(11) . . ?
C19 C24 N1 108.0(10) . . ?
N2 C26 C7 115.1(10) . . ?
C13 C26 N2 109.4(10) . . ?
C13 C26 C7 135.4(10) . . ?
N3 C13 H13 126.9 . . ?
C26 C13 N3 106.1(10) . . ?
C26 C13 H13 126.9 . . ?
O2 C7 N4 123.0(10) . . ?
O2 C7 C26 120.0(9) . . ?
N4 C7 C26 117.0(10) . . ?
C24 N1 Co1 112.2(7) . . ?
C21 N1 Co1 141.2(9) . . ?
C21 N1 C24 105.7(11) . . ?
C8 C15 C6 116.4(10) . . ?
C8 C15 C10 117.9(10) . . ?
C10 C15 C6 125.7(10) . . ?
C8 C2 H2 120.0 . . ?
C20 C2 C8 120.0(10) . . ?
C20 C2 H2 120.0 . . ?
C10 C17 H17 119.4 . . ?
C20 C17 C10 121.1(11) . . ?
C20 C17 H17 119.4 . . ?
N8 C9 C16 121.6(11) . . ?
N8 C9 H9 119.2 . . ?
C16 C9 H9 119.2 . . ?
C24 C19 H19 126.3 . . ?
N7 C19 C24 107.3(11) . . ?
N7 C19 H19 126.3 . . ?
C19 N7 H7 126.3 . . ?
C21 N7 C19 107.5(10) . . ?
C21 N7 H7 126.3 . . ?
N6 C5 H5A 121.5 . . ?
N6 C5 C11 117.0(10) . . ?
C11 C5 H5A 121.5 . . ?
W1 O41 W6 91.0(2) . . ?
W4 O41 W1 90.6(2) . . ?
W4 O41 W6 90.4(2) . . ?
Si1 O41 W1 125.4(4) . . ?
Si1 O41 W4 124.7(4) . . ?
Si1 O41 W6 124.3(4) . . ?
N1 C21 N7 111.6(11) . . ?
N1 C21 H21 124.2 . . ?
N7 C21 H21 124.2 . . ?
C14 C11 C5 120.8(11) . . ?
C14 C11 H11 119.6 . . ?
C5 C11 H11 119.6 . . ?
C18 C23 H23 120.9 . . ?
C25 C23 C18 118.2(12) . . ?
C25 C23 H23 120.9 . . ?
C1 C3 H3A 119.0 . . ?
C1 C3 C25 122.0(12) . . ?
C25 C3 H3A 119.0 . . ?
C23 C25 C3 121.3(12) . . ?
C23 C25 H25 119.3 . . ?
C3 C25 H25 119.3 . . ?
Co1 O2W H2WA 110.1 . . ?
Co1 O2W H2WB 109.2 . . ?
H2WA O2W H2WB 104.0 . . ?
Co1 O1W H1WA 109.4 . . ?
Co1 O1W H1WB 109.2 . . ?
H1WA O1W H1WB 104.0 . . ?

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
Co1 O2 C7 N4 -169.6(8) . . . . ?
Co1 O2 C7 C26 9.8(12) . . . . ?
Co1 O1 C12 N5 -168.2(9) . . . . ?
Co1 O1 C12 C24 9.6(15) . . . . ?
Co1 N2 C22 N3 -161.9(9) . . . . ?
Co1 N2 C26 C13 167.8(7) . . . . ?
Co1 N2 C26 C7 -9.8(11) . . . . ?
Co1 N1 C21 N7 -166.8(10) . . . . ?
O3 W4 O6 W3 25.9(9) . . . . ?
O6 W3 O14 W9 26.1(9) . . . . ?
O10 W8 O16 W12 -26.1(8) . . . . ?
O12 W5 O42 W1 -26.4(8) . . . . ?
O14 W9 O3 W4 30.1(8) . . . . ?
O18 W1 O8 W2 133.3(9) . . . . ?
O18 W4 O6 W3 -133.4(9) . . . . ?
O20 W4 O6 W3 -51.0(14) . . . . ?
O22 W8 O16 W12 53.0(13) . . . . ?
O22 W5 O42 W1 131.6(8) . . . . ?
O26 W9 O3 W4 -127.8(8) . . . . ?
O28 W3 O14 W9 -46.3(14) . . . . ?
O30 W1 O8 W2 50.2(13) . . . . ?
O32 W3 O14 W9 -131.7(9) . . . . ?
O36 W5 O42 W1 51.9(13) . . . . ?
O42 W1 O8 W2 -25.2(9) . . . . ?
O44 W10 O24 W7 45.0(14) . . . . ?
O44 W9 O3 W4 -40.5(13) . . . . ?
O11 W4 O6 W3 125.2(9) . . . . ?
O23 W1 O8 W2 -125.7(9) . . . . ?
O1 C12 C24 N1 -0.4(17) . . . . ?
O1 C12 C24 C19 178.9(16) . . . . ?
O13 W8 O16 W12 132.3(9) . . . . ?
O27 W10 O24 W7 128.7(8) . . . . ?
O7 W10 O24 W7 -30.3(8) . . . . ?
O29 W3 O14 W9 -58.5(9) . . . . ?
O29 Si1 O17 W10 -59.3(5) . . . . ?
O29 Si1 O17 W12 -179.8(4) . . . . ?
O29 Si1 O17 W9 60.8(5) . . . . ?
O29 Si1 O5 W8 179.6(3) . . . . ?
O29 Si1 O5 W7 59.3(5) . . . . ?
O29 Si1 O5 W5 -60.0(5) . . . . ?
O29 Si1 O41 W1 60.2(5) . . . . ?
O29 Si1 O41 W4 -60.2(5) . . . . ?
O29 Si1 O41 W6 -179.0(4) . . . . ?
O15 W8 O16 W12 -128.2(8) . . . . ?
O31 W3 O14 W9 127.4(9) . . . . ?
O21 W5 O42 W1 -128.9(8) . . . . ?
N2 C26 C13 N3 0.4(12) . . . . ?
N2 C26 C7 O2 -0.1(14) . . . . ?
N2 C26 C7 N4 179.3(9) . . . . ?
N6 C18 C23 C25 -174.7(13) . . . . ?
N6 C5 C11 C14 -1.1(19) . . . . ?
O17 W10 O24 W7 54.8(8) . . . . ?
O17 W9 O3 W4 -53.8(8) . . . . ?
O17 Si1 O29 W3 -60.0(5) . . . . ?
O17 Si1 O29 W2 179.8(3) . . . . ?
O17 Si1 O29 W11 60.0(5) . . . . ?
O17 Si1 O5 W8 59.5(5) . . . . ?
O17 Si1 O5 W7 -60.8(5) . . . . ?
O17 Si1 O5 W5 179.9(4) . . . . ?
O17 Si1 O41 W1 -179.3(4) . . . . ?
O17 Si1 O41 W4 60.3(5) . . . . ?
O17 Si1 O41 W6 -58.5(5) . . . . ?
O35 W10 O24 W7 -131.7(8) . . . . ?
N8 C8 C15 C6 -2.6(15) . . . . ?
N8 C8 C15 C10 179.4(10) . . . . ?
N8 C8 C2 C20 179.0(11) . . . . ?
O9 W9 O3 W4 130.3(8) . . . . ?
N4 C1 C4 C14 -3.6(16) . . . . ?
N4 C1 C4 C18 179.1(9) . . . . ?
N4 C1 C3 C25 -178.2(12) . . . . ?
C1 N4 C7 O2 4.8(17) . . . . ?
C1 N4 C7 C26 -174.5(10) . . . . ?
C1 C4 C14 C11 -174.8(11) . . . . ?
C1 C4 C18 N6 178.4(10) . . . . ?
C1 C4 C18 C23 -0.4(16) . . . . ?
C1 C3 C25 C23 -1(2) . . . . ?
N5 C10 C15 C6 0.6(18) . . . . ?
N5 C10 C15 C8 178.4(10) . . . . ?
N5 C10 C17 C20 -177.1(12) . . . . ?
N5 C12 C24 N1 177.5(10) . . . . ?
N5 C12 C24 C19 -3(2) . . . . ?
C4 C1 C3 C25 5(2) . . . . ?
C4 C14 C11 C5 -2.6(19) . . . . ?
C4 C18 C23 C25 4(2) . . . . ?
O5 W8 O16 W12 58.9(8) . . . . ?
O5 W5 O42 W1 58.1(8) . . . . ?
O5 Si1 O29 W3 -179.7(3) . . . . ?
O5 Si1 O29 W2 60.2(5) . . . . ?
O5 Si1 O29 W11 -59.6(5) . . . . ?
O5 Si1 O17 W10 60.8(5) . . . . ?
O5 Si1 O17 W12 -59.7(5) . . . . ?
O5 Si1 O17 W9 -179.1(4) . . . . ?
O5 Si1 O41 W1 -59.7(5) . . . . ?
O5 Si1 O41 W4 179.8(4) . . . . ?
O5 Si1 O41 W6 61.0(5) . . . . ?
C6 C16 C9 N8 2.6(19) . . . . ?
C8 N8 C9 C16 -1.5(18) . . . . ?
C10 N5 C12 O1 -7(2) . . . . ?
C10 N5 C12 C24 175.3(11) . . . . ?
C12 N5 C10 C15 56.6(18) . . . . ?
C12 N5 C10 C17 -127.1(13) . . . . ?
C12 C24 N1 Co1 -9.2(13) . . . . ?
C12 C24 N1 C21 179.3(11) . . . . ?
C12 C24 C19 N7 -179.5(15) . . . . ?
C14 C4 C18 N6 0.9(14) . . . . ?
C14 C4 C18 C23 -177.9(11) . . . . ?
C16 C6 C15 C8 3.8(17) . . . . ?
C16 C6 C15 C10 -178.4(11) . . . . ?
C18 N6 C5 C11 5.3(19) . . . . ?
C18 C4 C14 C11 2.5(16) . . . . ?
C18 C23 C25 C3 -3(2) . . . . ?
C22 N3 C13 C26 -1.2(12) . . . . ?
C22 N2 C26 C13 0.5(12) . . . . ?
C22 N2 C26 C7 -177.1(9) . . . . ?
C24 N1 C21 N7 0.5(16) . . . . ?
C24 C19 N7 C21 0.5(17) . . . . ?
C26 N2 C22 N3 -1.3(13) . . . . ?
C13 N3 C22 N2 1.6(13) . . . . ?
C13 C26 C7 O2 -176.9(12) . . . . ?
C13 C26 C7 N4 2.5(19) . . . . ?
C7 N4 C1 C4 -73.3(14) . . . . ?
C7 N4 C1 C3 109.9(13) . . . . ?
C7 C26 C13 N3 177.4(12) . . . . ?
N1 C24 C19 N7 -0.2(16) . . . . ?
C15 C6 C16 C9 -3.8(18) . . . . ?
C15 C8 C2 C20 0.3(17) . . . . ?
C15 C10 C17 C20 -0.7(18) . . . . ?
C2 C8 C15 C6 176.1(10) . . . . ?
C2 C8 C15 C10 -1.9(16) . . . . ?
C2 C20 C17 C10 -0.9(19) . . . . ?
C17 C10 C15 C6 -175.7(11) . . . . ?
C17 C10 C15 C8 2.1(16) . . . . ?
C17 C20 C2 C8 1.1(18) . . . . ?
C9 N8 C8 C15 1.6(16) . . . . ?
C9 N8 C8 C2 -177.1(11) . . . . ?
C19 C24 N1 Co1 171.3(9) . . . . ?
C19 C24 N1 C21 -0.2(15) . . . . ?
C19 N7 C21 N1 -0.6(17) . . . . ?
C5 N6 C18 C4 -5.2(18) . . . . ?
C5 N6 C18 C23 173.5(13) . . . . ?
O41 W1 O8 W2 59.7(9) . . . . ?
O41 W4 O6 W3 -59.4(9) . . . . ?
O41 Si1 O29 W3 60.6(5) . . . . ?
O41 Si1 O29 W2 -59.5(5) . . . . ?
O41 Si1 O29 W11 -179.3(4) . . . . ?
O41 Si1 O17 W10 -179.5(4) . . . . ?
O41 Si1 O17 W12 59.9(5) . . . . ?
O41 Si1 O17 W9 -59.5(5) . . . . ?
O41 Si1 O5 W8 -60.7(5) . . . . ?
O41 Si1 O5 W7 179.0(4) . . . . ?
O41 Si1 O5 W5 59.7(5) . . . . ?
C3 C1 C4 C14 173.2(11) . . . . ?
C3 C1 C4 C18 -4.1(16) . . . . ?

_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 -0.001 0.014 -0.189 693.1 150.9 '15 H2O'

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