# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_1
_database_code_depnum_ccdc_archive 'CCDC 2263177'
loop_
_audit_author_name
_audit_author_address
'Li Shuang'
;The Cambridge Crystallographic Date Centre
China
;
_audit_update_record             
;
2023-08-15 deposited with the CCDC.	2024-01-22 downloaded from the CCDC.
;
_audit_creation_date             2023-07-24
_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, C96 H88 Cu4 N16 O12'
_chemical_formula_sum            'C96 H88 Cu4 N16 O52 Si W12'
_chemical_formula_weight         4786.27
_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'
Cu Cu 0.3201 1.2651 '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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   34.8398(11)
_cell_length_b                   15.9468(4)
_cell_length_c                   27.5958(9)
_cell_angle_alpha                90
_cell_angle_beta                 128.799(2)
_cell_angle_gamma                90
_cell_volume                     11948.8(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9745
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      25.03
_cell_measurement_theta_min      2.22
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    12.299
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    2.661
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             8840
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1250
_diffrn_reflns_av_unetI/netI     0.0424
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            178587
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         2.000
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8379
_reflns_number_total             10534
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3-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    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.959
_refine_diff_density_min         -1.288
_refine_diff_density_rms         0.249
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     819
_refine_ls_number_reflns         10534
_refine_ls_number_restraints     13
_refine_ls_R_factor_all          0.0537
_refine_ls_R_factor_gt           0.0360
_refine_ls_restrained_S_all      1.089
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0520P)²+141.6063P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0926
_refine_ls_wR_factor_ref         0.1054
_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. Restrained distances
 Cu1-H1Wa \\sim Cu1-H1Wb
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(O1W) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O2W) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
4.a Free rotating group:
 O1W(H1Wa,H1Wb)
4.b Secondary CH2 refined with riding coordinates:
 C5(H5a,H5b), C15(H15a,H15b), C32(H32a,H32b), C45(H45a,H45b)
4.c Aromatic/amide H refined with riding coordinates:
 N5(H5), N6(H6), N7(H7), N9(H9), C3(H3), C9(H9a), C10(H10), C11(H11), C12(H12),
  C13(H13), C14(H14), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20),
 C21(H21), C22(H22), C25(H25), C27(H27), C28(H28), C30(H30), C31(H31), C34(H34),
  C35(H35), C37(H37), C38(H38), C39(H39), C42(H42), C43(H43), C46(H46), C47(H47)
4.d X=CH2 refined with riding coordinates:
 O2W(H2Wa,H2Wb)
;
_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 0.47986(2) 0.79913(2) 0.36099(2) 0.02580(10) Uani 1 1 d . . . . .
W2 W 0.44345(2) 0.63408(2) 0.13480(2) 0.02493(10) Uani 1 1 d . . . . .
W3 W 0.42754(2) 0.94669(2) 0.24963(2) 0.02541(10) Uani 1 1 d . . . . .
W4 W 0.55024(2) 0.94750(2) 0.36487(2) 0.02526(10) Uani 1 1 d . . . . .
W5 W 0.42277(2) 0.63678(2) 0.23843(2) 0.02582(10) Uani 1 1 d . . . . .
W6 W 0.37146(2) 0.78424(2) 0.12767(2) 0.02648(11) Uani 1 1 d . . . . .
Cu1 Cu 0.30563(6) 0.90216(11) 0.75238(8) 0.0659(5) Uani 1 1 d D . . . .
Cu2 Cu 0.51914(6) 0.65308(12) 0.51376(9) 0.0658(5) Uani 1 1 d . . . . .
Si1 Si 0.500000 0.79138(17) 0.250000 0.0103(6) Uani 1 2 d S T P . .
O4 O 0.5077(2) 0.8504(3) 0.2087(3) 0.0208(13) Uani 1 1 d . . . . .
O1W O 0.2881(5) 1.0275(10) 0.7317(7) 0.107(4) Uani 1 1 d G U . . .
H1WA H 0.302303 1.047537 0.767781 0.160 Uiso 1 1 d DG U . . .
H1WB H 0.257722 1.026391 0.715251 0.160 Uiso 1 1 d DG U . . .
O2 O 0.7665(3) 0.4187(5) 0.3063(4) 0.055(2) Uani 1 1 d . . . . .
O2W O 0.3026(5) 0.8359(8) 0.6802(7) 0.115(4) Uani 1 1 d . U . . .
H2WA H 0.330562 0.809216 0.690380 0.172 Uiso 1 1 calc R U . . .
H2WB H 0.273436 0.834624 0.639511 0.172 Uiso 1 1 calc R U . . .
O3 O 0.3861(2) 1.0226(4) 0.2314(3) 0.0372(17) Uani 1 1 d . . . . .
O5 O 0.3949(2) 0.5618(4) 0.2503(3) 0.0328(16) Uani 1 1 d . . . . .
O6 O 0.7583(3) 0.6112(6) 0.6296(4) 0.056(2) Uani 1 1 d . . . . .
O1 O 0.4954(3) 0.7081(5) 0.9150(4) 0.050(2) Uani 1 1 d . . . . .
O9 O 0.3666(2) 0.6972(4) 0.1723(3) 0.0288(15) Uani 1 1 d . . . . .
O10 O 0.4361(2) 0.7210(4) 0.2953(3) 0.0289(15) Uani 1 1 d . . . . .
O11 O 0.4277(3) 0.5596(4) 0.0808(3) 0.0378(17) Uani 1 1 d . . . . .
O12 O 0.4906(2) 0.6067(4) 0.2989(3) 0.0260(14) Uani 1 1 d . . . . .
O13 O 0.3826(2) 0.6968(4) 0.0896(3) 0.0302(15) Uani 1 1 d . . . . .
O14 O 0.4311(2) 0.8846(4) 0.3116(3) 0.0286(15) Uani 1 1 d . . . . .
O15 O 0.4705(3) 0.7791(4) 0.4136(3) 0.0366(17) Uani 1 1 d . . . . .
O16 O 0.5842(2) 1.0223(4) 0.4208(3) 0.0339(16) Uani 1 1 d . . . . .
O17 O 0.3868(2) 0.8621(4) 0.1897(3) 0.0283(15) Uani 1 1 d . . . . .
O18 O 0.4422(2) 0.9769(4) 0.1954(3) 0.0275(14) Uani 1 1 d . . . . .
O19 O 0.5973(2) 0.8620(4) 0.3903(3) 0.0289(15) Uani 1 1 d . . . . .
O20 O 0.3445(4) 0.7185(5) 0.4781(4) 0.066(3) Uani 1 1 d . . . . .
O21 O 0.4871(2) 1.0037(4) 0.3160(3) 0.0295(15) Uani 1 1 d . . . . .
O22 O 0.4518(2) 0.7329(4) 0.2040(3) 0.0219(13) Uani 1 1 d . . . . .
O23 O 0.5275(2) 0.8858(4) 0.4035(3) 0.0293(15) Uani 1 1 d . . . . .
O24 O 0.4226(2) 0.5796(4) 0.1764(3) 0.0277(14) Uani 1 1 d . . . . .
O25 O 0.3114(2) 0.8008(4) 0.0686(3) 0.0382(18) Uani 1 1 d . . . . .
O26 O 0.5300(2) 0.7203(4) 0.3844(3) 0.0305(15) Uani 1 1 d . . . . .
N1 N 0.3659(4) 0.9113(6) 0.8431(5) 0.049(2) Uani 1 1 d . . . . .
N4 N 0.4563(4) 0.6029(6) 0.4563(5) 0.054(3) Uani 1 1 d . . . . .
N3 N 0.5870(4) 0.6810(7) 0.5691(5) 0.050(3) Uani 1 1 d . . . . .
C4 C 0.4289(4) 0.6684(6) 0.6946(5) 0.039(3) Uani 1 1 d . . . . .
N5 N 0.4994(3) 0.8394(6) 0.8897(4) 0.039(2) Uani 1 1 d . . . . .
H5 H 0.502737 0.870236 0.866930 0.047 Uiso 1 1 calc R U . . .
N6 N 0.8255(3) 0.3444(6) 0.3914(5) 0.044(2) Uani 1 1 d . . . . .
H6 H 0.837228 0.327142 0.427841 0.052 Uiso 1 1 calc R U . . .
N7 N 0.3682(3) 0.5859(5) 0.5111(4) 0.040(2) Uani 1 1 d . . . . .
H7 H 0.382716 0.551685 0.542011 0.048 Uiso 1 1 calc R U . . .
N2 N 0.7577(4) 0.1470(6) 0.2611(5) 0.046(2) Uani 1 1 d . . . . .
N9 N 0.6985(3) 0.6683(6) 0.5386(4) 0.042(2) Uani 1 1 d . . . . .
H9 H 0.679663 0.664439 0.498741 0.050 Uiso 1 1 calc R U . . .
C1 C 0.7779(4) 0.4634(7) 0.4859(5) 0.040(3) Uani 1 1 d . . . . .
C2 C 0.7859(4) 0.3943(7) 0.3593(6) 0.044(3) Uani 1 1 d . . . . .
C3 C 0.4174(4) 0.8092(6) 0.6571(5) 0.041(3) Uani 1 1 d . . . . .
H3 H 0.421436 0.866683 0.664416 0.049 Uiso 1 1 calc R U . . .
C48 C 0.4905(4) 0.7581(7) 0.8776(5) 0.038(3) Uani 1 1 d . . . . .
C5 C 0.3469(4) 0.5536(7) 0.4500(5) 0.044(3) Uani 1 1 d . . . . .
H5A H 0.316515 0.583463 0.419405 0.053 Uiso 1 1 calc R U . . .
H5B H 0.338729 0.494951 0.448209 0.053 Uiso 1 1 calc R U . . .
C6 C 0.8195(4) 0.2544(8) 0.3122(6) 0.045(3) Uani 1 1 d . . . . .
C7 C 0.4333(4) 0.7550(6) 0.7062(5) 0.038(3) Uani 1 1 d . . . . .
C8 C 0.6635(4) 0.7110(7) 0.5904(6) 0.045(3) Uani 1 1 d . . . . .
C9 C 0.3639(5) 0.5338(7) 0.3758(6) 0.052(3) Uani 1 1 d . . . . .
H9A H 0.332308 0.512211 0.347399 0.062 Uiso 1 1 calc R U . . .
C10 C 0.4471(6) 0.6136(7) 0.7450(6) 0.066(4) Uani 1 1 d . . . . .
H10 H 0.444854 0.556042 0.738276 0.079 Uiso 1 1 calc R U . . .
C11 C 0.8053(5) 0.1781(9) 0.2286(6) 0.058(3) Uani 1 1 d . . . . .
H11 H 0.812034 0.167289 0.201423 0.069 Uiso 1 1 calc R U . . .
C12 C 0.7909(4) 0.5127(6) 0.5776(5) 0.035(2) Uani 1 1 d . . . . .
H12 H 0.810397 0.515128 0.620727 0.042 Uiso 1 1 calc R U . . .
C13 C 0.4104(4) 0.8948(7) 0.8613(5) 0.040(3) Uani 1 1 d . . . . .
H13 H 0.413110 0.880265 0.830867 0.047 Uiso 1 1 calc R U . . .
C14 C 0.6618(5) 0.6801(8) 0.6735(6) 0.053(3) Uani 1 1 d . . . . .
H14 H 0.677661 0.673090 0.715586 0.063 Uiso 1 1 calc R U . . .
C15 C 0.5037(4) 0.8771(8) 0.9406(6) 0.050(3) Uani 1 1 d . . . . .
H15A H 0.523000 0.928123 0.953516 0.060 Uiso 1 1 calc R U . . .
H15B H 0.520939 0.838813 0.975683 0.060 Uiso 1 1 calc R U . . .
C16 C 0.8299(5) 0.2395(9) 0.2720(7) 0.056(3) Uani 1 1 d . . . . .
H16 H 0.853635 0.271272 0.274858 0.067 Uiso 1 1 calc R U . . .
C17 C 0.4035(5) 0.9369(9) 0.9499(6) 0.058(3) Uani 1 1 d . . . . .
H17 H 0.400050 0.952477 0.979462 0.070 Uiso 1 1 calc R U . . .
C18 C 0.3964(4) 0.7807(6) 0.5991(5) 0.041(3) Uani 1 1 d . . . . .
H18 H 0.386062 0.818686 0.567481 0.049 Uiso 1 1 calc R U . . .
C19 C 0.4257(4) 0.5959(7) 0.4712(5) 0.043(3) Uani 1 1 d . . . . .
H19 H 0.436699 0.615929 0.509614 0.051 Uiso 1 1 calc R U . . .
C20 C 0.7959(4) 0.4285(6) 0.4563(5) 0.035(2) Uani 1 1 d . . . . .
H20 H 0.827864 0.407447 0.480499 0.043 Uiso 1 1 calc R U . . .
C21 C 0.6113(5) 0.6713(8) 0.6293(7) 0.059(4) Uani 1 1 d . . . . .
H21 H 0.593418 0.657799 0.642911 0.071 Uiso 1 1 calc R U . . .
C22 C 0.4680(5) 0.6426(7) 0.8041(6) 0.055(3) Uani 1 1 d . . . . .
H22 H 0.479839 0.605453 0.836653 0.066 Uiso 1 1 calc R U . . .
C23 C 0.3660(4) 0.6672(7) 0.5213(5) 0.040(3) Uani 1 1 d . . . . .
C24 C 0.4529(4) 0.8976(6) 0.9219(5) 0.037(2) Uani 1 1 d . . . . .
C25 C 0.7701(4) 0.1318(8) 0.2252(6) 0.052(3) Uani 1 1 d . . . . .
H25 H 0.754443 0.088265 0.196528 0.063 Uiso 1 1 calc R U . . .
C26 C 0.3799(4) 0.5611(6) 0.4327(5) 0.037(2) Uani 1 1 d . . . . .
C27 C 0.7148(4) 0.5439(7) 0.4776(5) 0.040(3) Uani 1 1 d . . . . .
H27 H 0.683666 0.568167 0.453455 0.048 Uiso 1 1 calc R U . . .
C28 C 0.8069(4) 0.4698(7) 0.5509(5) 0.041(3) Uani 1 1 d . . . . .
H28 H 0.837625 0.444139 0.576013 0.050 Uiso 1 1 calc R U . . .
C29 C 0.7335(4) 0.6114(7) 0.5726(5) 0.036(2) Uani 1 1 d . . . . .
C30 C 0.7000(4) 0.4886(8) 0.3830(5) 0.049(3) Uani 1 1 d . . . . .
H30 H 0.667302 0.506118 0.358029 0.059 Uiso 1 1 calc R U . . .
C31 C 0.4549(4) 0.7838(6) 0.7662(5) 0.033(2) Uani 1 1 d . . . . .
H31 H 0.458210 0.841169 0.773795 0.040 Uiso 1 1 calc R U . . .
C32 C 0.8487(5) 0.3194(9) 0.3642(6) 0.053(3) Uani 1 1 d . . . . .
H32A H 0.881026 0.296666 0.396846 0.064 Uiso 1 1 calc R U . . .
H32B H 0.853192 0.368854 0.347838 0.064 Uiso 1 1 calc R U . . .
C33 C 0.7448(4) 0.5535(6) 0.5405(5) 0.035(2) Uani 1 1 d . . . . .
C34 C 0.7836(4) 0.2055(7) 0.3046(6) 0.044(3) Uani 1 1 d . . . . .
H34 H 0.776863 0.214001 0.332005 0.053 Uiso 1 1 calc R U . . .
C35 C 0.7180(4) 0.4549(7) 0.3566(5) 0.044(3) Uani 1 1 d . . . . .
H35 H 0.697638 0.450695 0.313520 0.052 Uiso 1 1 calc R U . . .
C36 C 0.7670(4) 0.4253(6) 0.3921(5) 0.041(3) Uani 1 1 d . . . . .
C37 C 0.4399(5) 0.5743(8) 0.4011(7) 0.058(3) Uani 1 1 d . . . . .
H37 H 0.459904 0.578953 0.389646 0.070 Uiso 1 1 calc R U . . .
C38 C 0.3946(6) 0.5381(9) 0.3608(7) 0.069(4) Uani 1 1 d . . . . .
H38 H 0.384487 0.516486 0.323177 0.083 Uiso 1 1 calc R U . . .
C39 C 0.4071(5) 0.6390(7) 0.6345(6) 0.047(3) Uani 1 1 d . . . . .
H39 H 0.404172 0.581564 0.626954 0.056 Uiso 1 1 calc R U . . .
C40 C 0.3899(4) 0.6943(6) 0.5863(5) 0.036(2) Uani 1 1 d . . . . .
C41 C 0.4711(4) 0.7295(6) 0.8137(5) 0.033(2) Uani 1 1 d . . . . .
C42 C 0.6126(5) 0.6999(7) 0.5509(6) 0.050(3) Uani 1 1 d . . . . .
H42 H 0.595736 0.706321 0.508407 0.060 Uiso 1 1 calc R U . . .
C43 C 0.6878(5) 0.6997(8) 0.6528(6) 0.053(3) Uani 1 1 d . . . . .
H43 H 0.721888 0.705307 0.681029 0.063 Uiso 1 1 calc R U . . .
C44 C 0.7297(4) 0.4979(7) 0.4480(5) 0.038(3) Uani 1 1 d . . . . .
C45 C 0.6907(5) 0.7370(7) 0.5663(6) 0.051(3) Uani 1 1 d . . . . .
H45A H 0.672165 0.780798 0.535509 0.061 Uiso 1 1 calc R U . . .
H45B H 0.722469 0.760167 0.600424 0.061 Uiso 1 1 calc R U . . .
C46 C 0.3630(5) 0.9325(8) 0.8881(7) 0.059(4) Uani 1 1 d . . . . .
H46 H 0.332228 0.944685 0.876714 0.071 Uiso 1 1 calc R U . . .
C47 C 0.4482(4) 0.9184(7) 0.9669(5) 0.045(3) Uani 1 1 d . . . . .
H47 H 0.475817 0.919432 1.008685 0.054 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 O4 2.366(6) 2_655 ?
W1 O10 1.922(6) . ?
W1 O14 1.924(6) . ?
W1 O15 1.705(7) . ?
W1 O23 1.898(6) . ?
W1 O26 1.906(6) . ?
W2 O11 1.705(6) . ?
W2 O12 1.884(6) 2_655 ?
W2 O13 1.933(7) . ?
W2 O22 2.349(6) . ?
W2 O24 1.909(6) . ?
W2 O26 1.908(7) 2_655 ?
W3 O4 2.348(6) 2_655 ?
W3 O3 1.700(6) . ?
W3 O14 1.912(7) . ?
W3 O17 1.905(6) . ?
W3 O18 1.922(6) . ?
W3 O21 1.930(6) . ?
W4 O4 2.336(6) 2_655 ?
W4 O16 1.708(6) . ?
W4 O18 1.898(6) 2_655 ?
W4 O19 1.897(6) . ?
W4 O21 1.935(6) . ?
W4 O23 1.947(6) . ?
W5 O5 1.697(6) . ?
W5 O9 1.901(6) . ?
W5 O10 1.891(7) . ?
W5 O12 1.913(6) . ?
W5 O22 2.342(6) . ?
W5 O24 1.936(6) . ?
W6 O9 1.933(6) . ?
W6 O13 1.926(6) . ?
W6 O17 1.899(6) . ?
W6 O19 1.909(6) 2_655 ?
W6 O22 2.357(6) . ?
W6 O25 1.684(7) . ?
Cu1 O1W 2.064(16) . ?
Cu1 O2W 2.198(14) . ?
Cu1 N1 2.028(10) . ?
Cu1 N2 2.141(10) 5_666 ?
Cu2 N4 1.896(11) . ?
Cu2 N3 1.896(10) . ?
Si1 O4 1.625(6) 2_655 ?
Si1 O4 1.625(6) . ?
Si1 O22 1.621(6) 2_655 ?
Si1 O22 1.621(6) . ?
O1W H1WA 0.8498 . ?
O1W H1WB 0.8515 . ?
O2 C2 1.228(14) . ?
O2W H2WA 0.9300 . ?
O2W H2WB 0.9300 . ?
O6 C29 1.233(12) . ?
O1 C48 1.228(13) . ?
O20 C23 1.238(13) . ?
N1 C13 1.322(14) . ?
N1 C46 1.350(16) . ?
N4 C19 1.365(15) . ?
N4 C37 1.330(16) . ?
N3 C21 1.320(16) . ?
N3 C42 1.306(16) . ?
C4 C7 1.405(14) . ?
C4 C10 1.414(16) . ?
C4 C39 1.403(16) . ?
N5 H5 0.8600 . ?
N5 C48 1.327(14) . ?
N5 C15 1.447(14) . ?
N6 H6 0.8600 . ?
N6 C2 1.338(14) . ?
N6 C32 1.461(14) . ?
N7 H7 0.8600 . ?
N7 C5 1.448(13) . ?
N7 C23 1.338(13) . ?
N2 C25 1.331(15) . ?
N2 C34 1.329(15) . ?
N9 H9 0.8600 . ?
N9 C29 1.326(13) . ?
N9 C45 1.455(14) . ?
C1 C20 1.420(15) . ?
C1 C28 1.406(15) . ?
C1 C44 1.419(14) . ?
C2 C36 1.497(16) . ?
C3 H3 0.9300 . ?
C3 C7 1.396(15) . ?
C3 C18 1.353(16) . ?
C48 C41 1.509(15) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 C26 1.500(15) . ?
C6 C16 1.385(17) . ?
C6 C32 1.529(17) . ?
C6 C34 1.377(16) . ?
C7 C31 1.399(15) . ?
C8 C42 1.393(17) . ?
C8 C43 1.372(17) . ?
C8 C45 1.517(17) . ?
C9 H9A 0.9300 . ?
C9 C26 1.368(16) . ?
C9 C38 1.366(18) . ?
C10 H10 0.9300 . ?
C10 C22 1.383(17) . ?
C11 H11 0.9300 . ?
C11 C16 1.358(18) . ?
C11 C25 1.384(18) . ?
C12 H12 0.9300 . ?
C12 C28 1.356(15) . ?
C12 C33 1.410(14) . ?
C13 H13 0.9300 . ?
C13 C24 1.374(15) . ?
C14 H14 0.9300 . ?
C14 C21 1.385(18) . ?
C14 C43 1.375(17) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C24 1.537(15) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C17 C46 1.373(18) . ?
C17 C47 1.348(16) . ?
C18 H18 0.9300 . ?
C18 C40 1.405(14) . ?
C19 H19 0.9300 . ?
C19 C26 1.362(15) . ?
C20 H20 0.9300 . ?
C20 C36 1.385(15) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C22 C41 1.402(14) . ?
C23 C40 1.493(15) . ?
C24 C47 1.392(15) . ?
C25 H25 0.9300 . ?
C27 H27 0.9300 . ?
C27 C33 1.362(15) . ?
C27 C44 1.417(15) . ?
C28 H28 0.9300 . ?
C29 C33 1.492(14) . ?
C30 H30 0.9300 . ?
C30 C35 1.336(15) . ?
C30 C44 1.409(15) . ?
C31 H31 0.9300 . ?
C31 C41 1.364(14) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C34 H34 0.9300 . ?
C35 H35 0.9300 . ?
C35 C36 1.416(15) . ?
C37 H37 0.9300 . ?
C37 C38 1.366(19) . ?
C38 H38 0.9300 . ?
C39 H39 0.9300 . ?
C39 C40 1.380(15) . ?
C42 H42 0.9300 . ?
C43 H43 0.9300 . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C46 H46 0.9300 . ?
C47 H47 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
O10 W1 O4 84.2(2) . 2_655 ?
O10 W1 O14 87.9(3) . . ?
O14 W1 O4 73.1(2) . 2_655 ?
O15 W1 O4 170.6(3) . 2_655 ?
O15 W1 O10 102.6(3) . . ?
O15 W1 O14 100.4(3) . . ?
O15 W1 O23 99.8(3) . . ?
O15 W1 O26 102.2(3) . . ?
O23 W1 O4 73.5(2) . 2_655 ?
O23 W1 O10 157.6(3) . . ?
O23 W1 O14 88.0(3) . . ?
O23 W1 O26 90.6(3) . . ?
O26 W1 O4 84.8(2) . 2_655 ?
O26 W1 O10 84.8(3) . . ?
O26 W1 O14 157.3(3) . . ?
O11 W2 O12 102.5(3) . 2_655 ?
O11 W2 O13 100.1(3) . . ?
O11 W2 O22 170.4(3) . . ?
O11 W2 O24 100.0(3) . . ?
O11 W2 O26 101.8(3) . 2_655 ?
O12 W2 O13 157.4(3) 2_655 . ?
O12 W2 O22 84.9(2) 2_655 . ?
O12 W2 O24 90.1(3) 2_655 . ?
O12 W2 O26 85.9(3) 2_655 2_655 ?
O13 W2 O22 72.8(2) . . ?
O24 W2 O13 86.9(3) . . ?
O24 W2 O22 73.5(2) . . ?
O26 W2 O13 88.6(3) 2_655 . ?
O26 W2 O22 84.7(2) 2_655 . ?
O26 W2 O24 158.1(3) 2_655 . ?
O3 W3 O4 170.7(3) . 2_655 ?
O3 W3 O14 101.6(3) . . ?
O3 W3 O17 102.4(3) . . ?
O3 W3 O18 100.5(3) . . ?
O3 W3 O21 98.9(3) . . ?
O14 W3 O4 73.7(2) . 2_655 ?
O14 W3 O18 157.9(3) . . ?
O14 W3 O21 88.1(3) . . ?
O17 W3 O4 85.8(2) . 2_655 ?
O17 W3 O14 90.3(3) . . ?
O17 W3 O18 85.3(3) . . ?
O17 W3 O21 158.5(3) . . ?
O18 W3 O4 84.4(2) . 2_655 ?
O18 W3 O21 88.2(3) . . ?
O21 W3 O4 73.2(2) . 2_655 ?
O16 W4 O4 168.6(3) . 2_655 ?
O16 W4 O18 102.8(3) . 2_655 ?
O16 W4 O19 102.6(3) . . ?
O16 W4 O21 98.5(3) . . ?
O16 W4 O23 98.5(3) . . ?
O18 W4 O4 85.4(2) 2_655 2_655 ?
O18 W4 O21 89.7(3) 2_655 . ?
O18 W4 O23 158.7(3) 2_655 . ?
O19 W4 O4 85.5(2) . 2_655 ?
O19 W4 O18 86.5(3) . 2_655 ?
O19 W4 O21 158.9(3) . . ?
O19 W4 O23 89.3(3) . . ?
O21 W4 O4 73.4(2) . 2_655 ?
O21 W4 O23 86.6(3) . . ?
O23 W4 O4 73.4(2) . 2_655 ?
O5 W5 O9 99.9(3) . . ?
O5 W5 O10 102.3(3) . . ?
O5 W5 O12 101.5(3) . . ?
O5 W5 O22 170.0(3) . . ?
O5 W5 O24 98.9(3) . . ?
O9 W5 O12 158.6(3) . . ?
O9 W5 O22 74.1(2) . . ?
O9 W5 O24 87.7(3) . . ?
O10 W5 O9 90.4(3) . . ?
O10 W5 O12 85.9(3) . . ?
O10 W5 O22 85.9(2) . . ?
O10 W5 O24 158.8(3) . . ?
O12 W5 O22 84.6(2) . . ?
O12 W5 O24 88.3(3) . . ?
O24 W5 O22 73.2(2) . . ?
O9 W6 O22 73.2(2) . . ?
O13 W6 O9 87.5(3) . . ?
O13 W6 O22 72.7(2) . . ?
O17 W6 O9 89.0(3) . . ?
O17 W6 O13 157.7(3) . . ?
O17 W6 O19 85.7(3) . 2_655 ?
O17 W6 O22 85.2(2) . . ?
O19 W6 O9 157.6(3) 2_655 . ?
O19 W6 O13 89.2(3) 2_655 . ?
O19 W6 O22 84.7(2) 2_655 . ?
O25 W6 O9 100.2(3) . . ?
O25 W6 O13 98.0(3) . . ?
O25 W6 O17 104.3(3) . . ?
O25 W6 O19 102.2(3) . 2_655 ?
O25 W6 O22 168.5(3) . . ?
O1W Cu1 O2W 112.1(5) . . ?
O1W Cu1 N2 102.3(5) . 5_666 ?
N1 Cu1 O1W 99.8(5) . . ?
N1 Cu1 O2W 125.3(5) . . ?
N1 Cu1 N2 113.5(4) . 5_666 ?
N2 Cu1 O2W 101.9(4) 5_666 . ?
N3 Cu2 N4 167.4(5) . . ?
O4 Si1 O4 109.2(4) 2_655 . ?
O22 Si1 O4 109.2(3) . . ?
O22 Si1 O4 109.2(3) 2_655 2_655 ?
O22 Si1 O4 109.7(3) 2_655 . ?
O22 Si1 O4 109.7(3) . 2_655 ?
O22 Si1 O22 109.8(4) 2_655 . ?
W3 O4 W1 90.9(2) 2_655 2_655 ?
W4 O4 W1 91.2(2) 2_655 2_655 ?
W4 O4 W3 92.0(2) 2_655 2_655 ?
Si1 O4 W1 124.4(3) . 2_655 ?
Si1 O4 W3 124.5(3) . 2_655 ?
Si1 O4 W4 124.1(3) . 2_655 ?
Cu1 O1W H1WA 100.7 . . ?
Cu1 O1W H1WB 100.4 . . ?
H1WA O1W H1WB 104.4 . . ?
Cu1 O2W H2WA 120.0 . . ?
Cu1 O2W H2WB 120.0 . . ?
H2WA O2W H2WB 120.0 . . ?
W5 O9 W6 121.8(3) . . ?
W5 O10 W1 151.6(4) . . ?
W2 O12 W5 151.3(4) 2_655 . ?
W6 O13 W2 122.5(3) . . ?
W3 O14 W1 122.3(3) . . ?
W6 O17 W3 151.8(4) . . ?
W4 O18 W3 150.6(4) 2_655 . ?
W4 O19 W6 150.7(4) . 2_655 ?
W3 O21 W4 121.3(3) . . ?
W2 O22 W6 91.9(2) . . ?
W5 O22 W2 91.5(2) . . ?
W5 O22 W6 90.9(2) . . ?
Si1 O22 W2 124.3(3) . . ?
Si1 O22 W5 123.9(3) . . ?
Si1 O22 W6 124.6(3) . . ?
W1 O23 W4 121.9(3) . . ?
W2 O24 W5 121.7(3) . . ?
W1 O26 W2 151.9(4) . 2_655 ?
C13 N1 Cu1 121.0(8) . . ?
C13 N1 C46 116.6(11) . . ?
C46 N1 Cu1 122.4(9) . . ?
C19 N4 Cu2 119.6(9) . . ?
C37 N4 Cu2 122.9(10) . . ?
C37 N4 C19 117.5(11) . . ?
C21 N3 Cu2 118.5(9) . . ?
C42 N3 Cu2 123.6(9) . . ?
C42 N3 C21 117.4(11) . . ?
C7 C4 C10 117.7(10) . . ?
C39 C4 C7 119.9(10) . . ?
C39 C4 C10 122.3(10) . . ?
C48 N5 H5 119.5 . . ?
C48 N5 C15 121.0(10) . . ?
C15 N5 H5 119.5 . . ?
C2 N6 H6 120.1 . . ?
C2 N6 C32 119.7(11) . . ?
C32 N6 H6 120.1 . . ?
C5 N7 H7 118.9 . . ?
C23 N7 H7 118.9 . . ?
C23 N7 C5 122.3(9) . . ?
C25 N2 Cu1 125.8(9) . 5_666 ?
C34 N2 Cu1 117.2(8) . 5_666 ?
C34 N2 C25 116.5(10) . . ?
C29 N9 H9 118.8 . . ?
C29 N9 C45 122.3(10) . . ?
C45 N9 H9 118.8 . . ?
C28 C1 C20 122.6(9) . . ?
C28 C1 C44 119.0(10) . . ?
C44 C1 C20 118.3(10) . . ?
O2 C2 N6 123.1(11) . . ?
O2 C2 C36 119.6(11) . . ?
N6 C2 C36 117.2(11) . . ?
C7 C3 H3 119.0 . . ?
C18 C3 H3 119.0 . . ?
C18 C3 C7 122.0(10) . . ?
O1 C48 N5 122.4(11) . . ?
O1 C48 C41 120.6(10) . . ?
N5 C48 C41 116.9(10) . . ?
N7 C5 H5A 108.7 . . ?
N7 C5 H5B 108.7 . . ?
N7 C5 C26 114.0(9) . . ?
H5A C5 H5B 107.6 . . ?
C26 C5 H5A 108.7 . . ?
C26 C5 H5B 108.7 . . ?
C16 C6 C32 121.0(11) . . ?
C34 C6 C16 116.8(12) . . ?
C34 C6 C32 122.1(11) . . ?
C3 C7 C4 117.9(10) . . ?
C3 C7 C31 122.5(10) . . ?
C31 C7 C4 119.6(10) . . ?
C42 C8 C45 121.9(12) . . ?
C43 C8 C42 116.6(12) . . ?
C43 C8 C45 121.4(11) . . ?
C26 C9 H9A 120.1 . . ?
C38 C9 H9A 120.1 . . ?
C38 C9 C26 119.9(12) . . ?
C4 C10 H10 118.9 . . ?
C22 C10 C4 122.3(11) . . ?
C22 C10 H10 118.9 . . ?
C16 C11 H11 120.5 . . ?
C16 C11 C25 119.1(12) . . ?
C25 C11 H11 120.5 . . ?
C28 C12 H12 119.8 . . ?
C28 C12 C33 120.4(10) . . ?
C33 C12 H12 119.8 . . ?
N1 C13 H13 117.7 . . ?
N1 C13 C24 124.6(10) . . ?
C24 C13 H13 117.7 . . ?
C21 C14 H14 121.2 . . ?
C43 C14 H14 121.2 . . ?
C43 C14 C21 117.6(12) . . ?
N5 C15 H15A 109.3 . . ?
N5 C15 H15B 109.3 . . ?
N5 C15 C24 111.4(9) . . ?
H15A C15 H15B 108.0 . . ?
C24 C15 H15A 109.3 . . ?
C24 C15 H15B 109.3 . . ?
C6 C16 H16 120.2 . . ?
C11 C16 C6 119.6(12) . . ?
C11 C16 H16 120.2 . . ?
C46 C17 H17 120.5 . . ?
C47 C17 H17 120.5 . . ?
C47 C17 C46 119.0(12) . . ?
C3 C18 H18 119.7 . . ?
C3 C18 C40 120.6(10) . . ?
C40 C18 H18 119.7 . . ?
N4 C19 H19 118.2 . . ?
C26 C19 N4 123.6(11) . . ?
C26 C19 H19 118.2 . . ?
C1 C20 H20 119.3 . . ?
C36 C20 C1 121.4(10) . . ?
C36 C20 H20 119.3 . . ?
N3 C21 C14 123.6(13) . . ?
N3 C21 H21 118.2 . . ?
C14 C21 H21 118.2 . . ?
C10 C22 H22 120.8 . . ?
C10 C22 C41 118.4(10) . . ?
C41 C22 H22 120.8 . . ?
O20 C23 N7 121.2(11) . . ?
O20 C23 C40 120.7(10) . . ?
N7 C23 C40 118.1(9) . . ?
C13 C24 C15 122.6(10) . . ?
C13 C24 C47 117.1(10) . . ?
C47 C24 C15 120.4(10) . . ?
N2 C25 C11 122.8(12) . . ?
N2 C25 H25 118.6 . . ?
C11 C25 H25 118.6 . . ?
C9 C26 C5 119.8(11) . . ?
C19 C26 C5 122.8(10) . . ?
C19 C26 C9 117.4(11) . . ?
C33 C27 H27 119.1 . . ?
C33 C27 C44 121.8(10) . . ?
C44 C27 H27 119.1 . . ?
C1 C28 H28 119.4 . . ?
C12 C28 C1 121.3(10) . . ?
C12 C28 H28 119.4 . . ?
O6 C29 N9 120.1(10) . . ?
O6 C29 C33 121.5(10) . . ?
N9 C29 C33 118.1(9) . . ?
C35 C30 H30 119.5 . . ?
C35 C30 C44 120.9(10) . . ?
C44 C30 H30 119.5 . . ?
C7 C31 H31 119.3 . . ?
C41 C31 C7 121.5(9) . . ?
C41 C31 H31 119.3 . . ?
N6 C32 C6 114.3(9) . . ?
N6 C32 H32A 108.7 . . ?
N6 C32 H32B 108.7 . . ?
C6 C32 H32A 108.7 . . ?
C6 C32 H32B 108.7 . . ?
H32A C32 H32B 107.6 . . ?
C12 C33 C29 117.2(9) . . ?
C27 C33 C12 119.3(10) . . ?
C27 C33 C29 123.3(9) . . ?
N2 C34 C6 125.0(11) . . ?
N2 C34 H34 117.5 . . ?
C6 C34 H34 117.5 . . ?
C30 C35 H35 118.9 . . ?
C30 C35 C36 122.2(11) . . ?
C36 C35 H35 118.9 . . ?
C20 C36 C2 122.8(10) . . ?
C20 C36 C35 117.9(10) . . ?
C35 C36 C2 119.2(10) . . ?
N4 C37 H37 119.2 . . ?
N4 C37 C38 121.6(12) . . ?
C38 C37 H37 119.2 . . ?
C9 C38 H38 120.0 . . ?
C37 C38 C9 120.0(12) . . ?
C37 C38 H38 120.0 . . ?
C4 C39 H39 119.6 . . ?
C40 C39 C4 120.7(10) . . ?
C40 C39 H39 119.6 . . ?
C18 C40 C23 117.8(9) . . ?
C39 C40 C18 118.8(10) . . ?
C39 C40 C23 123.4(9) . . ?
C22 C41 C48 116.4(10) . . ?
C31 C41 C48 123.0(9) . . ?
C31 C41 C22 120.5(10) . . ?
N3 C42 C8 124.7(12) . . ?
N3 C42 H42 117.6 . . ?
C8 C42 H42 117.6 . . ?
C8 C43 C14 120.1(12) . . ?
C8 C43 H43 120.0 . . ?
C14 C43 H43 120.0 . . ?
C27 C44 C1 117.8(10) . . ?
C30 C44 C1 119.0(10) . . ?
C30 C44 C27 123.1(10) . . ?
N9 C45 C8 113.5(10) . . ?
N9 C45 H45A 108.9 . . ?
N9 C45 H45B 108.9 . . ?
C8 C45 H45A 108.9 . . ?
C8 C45 H45B 108.9 . . ?
H45A C45 H45B 107.7 . . ?
N1 C46 C17 122.9(12) . . ?
N1 C46 H46 118.5 . . ?
C17 C46 H46 118.5 . . ?
C17 C47 C24 119.8(11) . . ?
C17 C47 H47 120.1 . . ?
C24 C47 H47 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
Cu1 N1 C13 C24 -178.4(8) . . . . ?
Cu1 N1 C46 C17 178.3(11) . . . . ?
Cu1 N2 C25 C11 166.5(10) 5_666 . . . ?
Cu1 N2 C34 C6 -167.8(9) 5_666 . . . ?
Cu2 N4 C19 C26 179.7(9) . . . . ?
Cu2 N4 C37 C38 179.7(11) . . . . ?
Cu2 N3 C21 C14 172.2(10) . . . . ?
Cu2 N3 C42 C8 -172.2(9) . . . . ?
O4 W1 O23 W4 -0.2(3) 2_655 . . . ?
O4 W4 O19 W6 57.0(7) 2_655 . . 2_655 ?
O4 Si1 O4 W1 -179.6(4) 2_655 . . 2_655 ?
O4 Si1 O4 W3 61.0(3) 2_655 . . 2_655 ?
O4 Si1 O4 W4 -60.0(3) 2_655 . . 2_655 ?
O4 Si1 O22 W2 61.3(4) . . . . ?
O4 Si1 O22 W2 -179.1(3) 2_655 . . . ?
O4 Si1 O22 W5 -59.5(4) 2_655 . . . ?
O4 Si1 O22 W5 -179.1(3) . . . . ?
O4 Si1 O22 W6 -60.0(4) . . . . ?
O4 Si1 O22 W6 59.6(4) 2_655 . . . ?
O2 C2 C36 C20 -154.5(11) . . . . ?
O2 C2 C36 C35 23.7(16) . . . . ?
O5 W5 O10 W1 130.2(8) . . . . ?
O6 C29 C33 C12 -14.3(16) . . . . ?
O6 C29 C33 C27 171.0(11) . . . . ?
O1 C48 C41 C22 -11.5(16) . . . . ?
O1 C48 C41 C31 165.4(11) . . . . ?
O9 W5 O10 W1 -129.5(8) . . . . ?
O9 W6 O17 W3 127.1(8) . . . . ?
O10 W1 O23 W4 6.4(9) . . . . ?
O12 W5 O10 W1 29.3(8) . . . . ?
O13 W6 O17 W3 46.2(12) . . . . ?
O14 W1 O23 W4 -73.2(4) . . . . ?
O15 W1 O23 W4 -173.4(4) . . . . ?
O16 W4 O19 W6 -131.0(7) . . . 2_655 ?
O18 W4 O19 W6 -28.6(7) 2_655 . . 2_655 ?
O19 W6 O17 W3 -31.1(8) 2_655 . . . ?
O20 C23 C40 C18 -13.3(17) . . . . ?
O20 C23 C40 C39 168.7(12) . . . . ?
O21 W4 O19 W6 51.6(12) . . . 2_655 ?
O22 W5 O10 W1 -55.5(8) . . . . ?
O22 W6 O17 W3 53.9(8) . . . . ?
O22 Si1 O4 W1 60.8(4) 2_655 . . 2_655 ?
O22 Si1 O4 W1 -59.6(4) . . . 2_655 ?
O22 Si1 O4 W3 -58.6(4) 2_655 . . 2_655 ?
O22 Si1 O4 W3 -179.0(3) . . . 2_655 ?
O22 Si1 O4 W4 60.0(4) . . . 2_655 ?
O22 Si1 O4 W4 -179.6(3) 2_655 . . 2_655 ?
O22 Si1 O22 W2 -59.1(3) 2_655 . . . ?
O22 Si1 O22 W5 60.5(3) 2_655 . . . ?
O22 Si1 O22 W6 179.6(5) 2_655 . . . ?
O23 W4 O19 W6 130.5(7) . . . 2_655 ?
O24 W5 O10 W1 -45.1(13) . . . . ?
O25 W6 O17 W3 -132.6(8) . . . . ?
O26 W1 O23 W4 84.1(4) . . . . ?
N1 C13 C24 C15 179.5(11) . . . . ?
N1 C13 C24 C47 0.8(17) . . . . ?
N4 Cu2 N3 C21 -99(2) . . . . ?
N4 Cu2 N3 C42 73(3) . . . . ?
N4 C19 C26 C5 179.7(11) . . . . ?
N4 C19 C26 C9 -1.4(17) . . . . ?
N4 C37 C38 C9 3(2) . . . . ?
N3 Cu2 N4 C19 126(2) . . . . ?
N3 Cu2 N4 C37 -55(3) . . . . ?
C4 C7 C31 C41 -1.2(17) . . . . ?
C4 C10 C22 C41 0(2) . . . . ?
C4 C39 C40 C18 2.4(18) . . . . ?
C4 C39 C40 C23 -179.6(11) . . . . ?
N5 C48 C41 C22 171.6(10) . . . . ?
N5 C48 C41 C31 -11.5(15) . . . . ?
N5 C15 C24 C13 -11.5(15) . . . . ?
N5 C15 C24 C47 167.1(10) . . . . ?
N6 C2 C36 C20 21.7(16) . . . . ?
N6 C2 C36 C35 -160.1(10) . . . . ?
N7 C5 C26 C9 -179.3(10) . . . . ?
N7 C5 C26 C19 -0.4(16) . . . . ?
N7 C23 C40 C18 167.5(11) . . . . ?
N7 C23 C40 C39 -10.6(17) . . . . ?
N9 C29 C33 C12 160.4(10) . . . . ?
N9 C29 C33 C27 -14.3(16) . . . . ?
C1 C20 C36 C2 175.8(10) . . . . ?
C1 C20 C36 C35 -2.4(16) . . . . ?
C2 N6 C32 C6 -73.5(15) . . . . ?
C3 C7 C31 C41 -178.6(11) . . . . ?
C3 C18 C40 C23 179.5(11) . . . . ?
C3 C18 C40 C39 -2.4(18) . . . . ?
C48 N5 C15 C24 -82.5(13) . . . . ?
C5 N7 C23 O20 1.8(18) . . . . ?
C5 N7 C23 C40 -178.9(10) . . . . ?
C7 C4 C10 C22 1(2) . . . . ?
C7 C4 C39 C40 0.3(18) . . . . ?
C7 C3 C18 C40 -0.3(19) . . . . ?
C7 C31 C41 C48 -174.6(10) . . . . ?
C7 C31 C41 C22 2.2(17) . . . . ?
C10 C4 C7 C3 177.2(12) . . . . ?
C10 C4 C7 C31 -0.3(17) . . . . ?
C10 C4 C39 C40 -179.8(13) . . . . ?
C10 C22 C41 C48 175.3(12) . . . . ?
C10 C22 C41 C31 -1.7(19) . . . . ?
C13 N1 C46 C17 0(2) . . . . ?
C13 C24 C47 C17 -1.9(17) . . . . ?
C15 N5 C48 O1 -15.4(16) . . . . ?
C15 N5 C48 C41 161.4(10) . . . . ?
C15 C24 C47 C17 179.4(11) . . . . ?
C16 C6 C32 N6 164.2(12) . . . . ?
C16 C6 C34 N2 -1.6(18) . . . . ?
C16 C11 C25 N2 3(2) . . . . ?
C18 C3 C7 C4 2.9(18) . . . . ?
C18 C3 C7 C31 -179.6(11) . . . . ?
C19 N4 C37 C38 -1(2) . . . . ?
C20 C1 C28 C12 171.6(10) . . . . ?
C20 C1 C44 C27 -170.5(10) . . . . ?
C20 C1 C44 C30 6.5(16) . . . . ?
C21 N3 C42 C8 -0.5(19) . . . . ?
C21 C14 C43 C8 1.0(19) . . . . ?
C23 N7 C5 C26 84.5(13) . . . . ?
C25 N2 C34 C6 4.4(17) . . . . ?
C25 C11 C16 C6 0(2) . . . . ?
C26 C9 C38 C37 -4(2) . . . . ?
C28 C1 C20 C36 -178.1(11) . . . . ?
C28 C1 C44 C27 5.6(16) . . . . ?
C28 C1 C44 C30 -177.5(11) . . . . ?
C28 C12 C33 C27 5.3(16) . . . . ?
C28 C12 C33 C29 -169.6(10) . . . . ?
C29 N9 C45 C8 -78.2(14) . . . . ?
C30 C35 C36 C2 -175.3(11) . . . . ?
C30 C35 C36 C20 2.9(18) . . . . ?
C32 N6 C2 O2 2.4(18) . . . . ?
C32 N6 C2 C36 -173.6(10) . . . . ?
C32 C6 C16 C11 176.3(13) . . . . ?
C32 C6 C34 N2 -178.7(11) . . . . ?
C33 C12 C28 C1 -1.3(17) . . . . ?
C33 C27 C44 C1 -1.6(17) . . . . ?
C33 C27 C44 C30 -178.4(11) . . . . ?
C34 N2 C25 C11 -5.0(18) . . . . ?
C34 C6 C16 C11 -0.8(19) . . . . ?
C34 C6 C32 N6 -18.8(17) . . . . ?
C35 C30 C44 C1 -6.2(19) . . . . ?
C35 C30 C44 C27 170.6(12) . . . . ?
C37 N4 C19 C26 0.2(18) . . . . ?
C38 C9 C26 C5 -177.9(12) . . . . ?
C38 C9 C26 C19 3.2(18) . . . . ?
C39 C4 C7 C3 -2.9(17) . . . . ?
C39 C4 C7 C31 179.6(11) . . . . ?
C39 C4 C10 C22 -179.1(14) . . . . ?
C42 N3 C21 C14 0.0(19) . . . . ?
C42 C8 C43 C14 -1.3(18) . . . . ?
C42 C8 C45 N9 -78.5(14) . . . . ?
C43 C8 C42 N3 1.1(18) . . . . ?
C43 C8 C45 N9 103.3(13) . . . . ?
C43 C14 C21 N3 0(2) . . . . ?
C44 C1 C20 C36 -2.2(16) . . . . ?
C44 C1 C28 C12 -4.2(17) . . . . ?
C44 C27 C33 C12 -3.8(17) . . . . ?
C44 C27 C33 C29 170.8(10) . . . . ?
C44 C30 C35 C36 1(2) . . . . ?
C45 N9 C29 O6 6.2(17) . . . . ?
C45 N9 C29 C33 -168.5(10) . . . . ?
C45 C8 C42 N3 -177.1(11) . . . . ?
C45 C8 C43 C14 176.9(11) . . . . ?
C46 N1 C13 C24 0.2(18) . . . . ?
C46 C17 C47 C24 2(2) . . . . ?
C47 C17 C46 N1 -1(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
