# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

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#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
#                         www.ccdc.cam.ac.uk
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#  from this site to visualise CIF-encoded structures and 
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data_CuSiW12

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H32 Cu4 N8 O52 Si W12'
_chemical_formula_weight         3897.15

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'
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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.0612(7)
_cell_length_b                   19.6783(11)
_cell_length_c                   16.3392(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 116.804(3)
_cell_angle_gamma                90.00
_cell_volume                     3461.3(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    18903
_cell_measurement_theta_min      1.74
_cell_measurement_theta_max      25.00

_exptl_crystal_description       block
_exptl_crystal_colour            blue
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.1
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.739
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3476
_exptl_absorpt_coefficient_mu    21.177
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.058
_exptl_absorpt_correction_T_max  0.120
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            18903
_diffrn_reflns_av_R_equivalents  0.0315
_diffrn_reflns_av_sigmaI/netI    0.0309
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.74
_diffrn_reflns_theta_max         25.00
_reflns_number_total             5761
_reflns_number_gt                5593
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 1997)'
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
During the refinement, the command 'omit-3 50' was used to omit the 
 weak reflection above 50 degree. The restraint commands 'isor' and 'EADP'was 
 also used to refine the non-H atoms with NPD and ADP problems. This restraint command 
 led to a relative high restraint value, but it cannot be totally avoided in
 order to get a reasonable refinement.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1650P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5761
_refine_ls_number_parameters     469
_refine_ls_number_restraints     115
_refine_ls_R_factor_all          0.0599
_refine_ls_R_factor_gt           0.0584
_refine_ls_wR_factor_ref         0.2240
_refine_ls_wR_factor_gt          0.2220
_refine_ls_goodness_of_fit_ref   1.279
_refine_ls_restrained_S_all      1.285
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.001

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 1.45248(6) 0.17526(3) 0.45116(5) 0.0175(2) Uani 1 1 d . . .
Cu1 Cu 1.1297(2) 0.14132(11) 0.05085(15) 0.0258(5) Uani 1 1 d . . .
Si1 Si 1.5000 0.0000 0.5000 0.0150(13) Uani 1 2 d S . .
O1 O 0.9833(14) 0.2826(8) 0.1534(12) 0.047(4) Uani 1 1 d . . .
N1 N 0.9430(15) 0.1406(8) 0.0060(11) 0.030(2) Uani 1 1 d . . .
C1 C 0.8596(19) 0.0959(10) -0.0471(14) 0.030(2) Uani 1 1 d . . .
H1A H 0.8875 0.0617 -0.0725 0.036 Uiso 1 1 calc R . .
O1W O 0.9194(16) 0.2165(8) 0.3455(14) 0.051(5) Uani 1 1 d D . .
W2 W 1.26368(6) 0.05437(4) 0.28721(4) 0.0188(2) Uani 1 1 d . . .
Cu2 Cu 1.1018(3) 0.31722(12) 0.27227(17) 0.0326(6) Uani 1 1 d D . .
O2 O 1.2445(15) 0.2997(7) 0.2287(10) 0.036(2) Uani 1 1 d . . .
N2 N 1.1146(15) 0.2232(9) 0.1078(11) 0.030(2) Uani 1 1 d . . .
C2 C 0.739(2) 0.0951(11) -0.0676(14) 0.035(5) Uani 1 1 d U . .
H2A H 0.6819 0.0639 -0.1071 0.042 Uiso 1 1 calc R . .
N3 N 1.3095(15) 0.1665(7) 0.1092(10) 0.023(3) Uani 1 1 d U . .
C3 C 0.7080(19) 0.1475(10) -0.0218(13) 0.030(2) Uani 1 1 d . . .
H3A H 0.6300 0.1457 -0.0234 0.036 Uiso 1 1 calc R . .
O3 O 1.1365(16) 0.4352(7) 0.4737(11) 0.038(3) Uani 1 1 d . . .
W3 W 1.31396(7) -0.12049(4) 0.33486(5) 0.0222(3) Uani 1 1 d . . .
O4 O 1.1155(16) 0.3468(7) 0.3910(10) 0.038(3) Uani 1 1 d . . .
N4 N 1.089(2) 0.4143(8) 0.2447(14) 0.035(4) Uani 1 1 d . . .
C4 C 0.785(2) 0.2020(14) 0.0256(19) 0.055(7) Uani 1 1 d . . .
H4A H 0.7583 0.2409 0.0435 0.066 Uiso 1 1 calc R . .
O5 O 1.1144(15) 0.2199(7) 0.3157(10) 0.036(2) Uani 1 1 d D . .
C5 C 0.9100(19) 0.1904(9) 0.0430(12) 0.027(4) Uani 1 1 d . . .
C6 C 1.011(2) 0.2381(11) 0.1085(14) 0.034(5) Uani 1 1 d . . .
O6 O 1.422(2) -0.0983(10) 0.2820(19) 0.080(8) Uani 1 1 d . . .
W4 W 1.76880(6) -0.07971(4) 0.51087(5) 0.0229(3) Uani 1 1 d . . .
C7 C 1.2262(19) 0.2536(10) 0.1702(12) 0.029(4) Uani 1 1 d U . .
O7 O 1.642(3) 0.0537(12) 0.3498(17) 0.130(14) Uani 1 1 d . . .
W5 W 1.72153(7) 0.09604(4) 0.46434(5) 0.0233(3) Uani 1 1 d . . .
O8 O 1.810(2) 0.0121(10) 0.5090(15) 0.073(6) Uani 1 1 d U . .
C8 C 1.3377(19) 0.2191(11) 0.1648(15) 0.034(2) Uani 1 1 d U . .
O9 O 1.2300(17) -0.0385(10) 0.2841(14) 0.055(5) Uani 1 1 d U . .
C9 C 1.4519(19) 0.2456(11) 0.2160(15) 0.034(2) Uani 1 1 d . . .
H9A H 1.4642 0.2860 0.2485 0.041 Uiso 1 1 calc R . .
O10 O 1.8220(17) -0.0687(10) 0.6409(13) 0.054(5) Uani 1 1 d U . .
C10 C 1.553(2) 0.2066(11) 0.2162(15) 0.034(2) Uani 1 1 d . . .
H10A H 1.6347 0.2185 0.2539 0.041 Uiso 1 1 calc R . .
W6 W 1.53560(8) -0.02326(4) 0.29937(5) 0.0276(3) Uani 1 1 d . . .
O11 O 1.3897(17) 0.0312(10) 0.2497(16) 0.062(5) Uani 1 1 d U . .
C11 C 1.524(2) 0.1513(14) 0.1591(18) 0.049(6) Uani 1 1 d U . .
H11A H 1.5879 0.1277 0.1546 0.059 Uiso 1 1 calc R . .
O12 O 1.6739(16) -0.1576(12) 0.5122(11) 0.062(6) Uani 1 1 d . . .
C12 C 1.4070(19) 0.1307(11) 0.1098(15) 0.034(2) Uani 1 1 d . . .
H12A H 1.3915 0.0913 0.0750 0.041 Uiso 1 1 calc R . .
O13 O 1.4366(14) -0.1748(9) 0.4237(10) 0.042(4) Uani 1 1 d U . .
C13 C 1.1159(19) 0.4516(9) 0.3212(14) 0.029(4) Uani 1 1 d U . .
O14 O 1.7628(15) 0.1176(9) 0.5867(10) 0.042(4) Uani 1 1 d . . .
C14 C 1.0850(19) 0.4441(10) 0.1752(12) 0.027(2) Uani 1 1 d . . .
H14A H 1.0771 0.4182 0.1253 0.032 Uiso 1 1 calc R . .
O15 O 1.3515(14) 0.1359(9) 0.3383(11) 0.044(4) Uani 1 1 d . . .
C15 C 1.0918(19) 0.5146(10) 0.1706(12) 0.027(2) Uani 1 1 d . . .
H15A H 1.0855 0.5351 0.1174 0.032 Uiso 1 1 calc R . .
O16 O 1.5900(15) 0.1581(10) 0.4252(10) 0.048(4) Uani 1 1 d U . .
C16 C 1.1079(19) 0.5544(10) 0.2457(12) 0.027(2) Uani 1 1 d . . .
H16A H 1.1065 0.6015 0.2410 0.032 Uiso 1 1 calc R . .
O17 O 1.4245(14) 0.2591(7) 0.4265(9) 0.034(3) Uani 1 1 d . . .
C17 C 1.1265(19) 0.5235(11) 0.3292(15) 0.034(5) Uani 1 1 d U . .
H17A H 1.1435 0.5474 0.3827 0.041 Uiso 1 1 calc R . .
O18 O 1.2187(16) -0.1739(8) 0.2495(10) 0.046(4) Uani 1 1 d . . .
C18 C 1.1260(16) 0.4104(8) 0.4025(11) 0.017(3) Uani 1 1 d U . .
O19 O 1.8964(13) -0.1195(8) 0.5177(12) 0.042(4) Uani 1 1 d . . .
O20 O 1.1532(14) 0.0771(9) 0.1856(10) 0.045(4) Uani 1 1 d . . .
O21 O 1.8274(13) 0.1416(9) 0.4504(12) 0.043(4) Uani 1 1 d . . .
O22 O 1.5540(16) -0.0335(7) 0.2041(9) 0.037(3) Uani 1 1 d U . .
O23 O 1.670(2) -0.0806(9) 0.3792(15) 0.088(9) Uani 1 1 d . . .
O24 O 1.603(3) 0.0001(13) 0.4600(17) 0.034(3) Uani 0.50 1 d PU . .
O27 O 1.560(2) 0.0719(12) 0.5158(15) 0.018(5) Uani 0.50 1 d PU . .
O26 O 1.573(3) 0.0166(14) 0.6034(18) 0.034(3) Uani 0.50 1 d P . .
O25 O 1.602(2) -0.0577(11) 0.5547(17) 0.016(5) Uani 0.50 1 d PU . .
H3 H 0.889(17) 0.185(5) 0.307(8) 0.024 Uiso 1 1 d D . .
H4 H 0.886(15) 0.253(4) 0.321(10) 0.024 Uiso 1 1 d D . .
H1 H 1.082(13) 0.205(2) 0.348(9) 0.024 Uiso 1 1 d D . .
H2 H 1.106(17) 0.191(6) 0.275(9) 0.024 Uiso 1 1 d 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 O17 1.696(13) . ?
W1 O15 1.859(14) . ?
W1 O13 1.872(15) 3_856 ?
W1 O12 1.904(14) 3_856 ?
W1 O16 1.918(15) . ?
W1 O27 2.39(2) . ?
W1 O25 2.39(2) 3_856 ?
Cu1 N2 1.909(17) . ?
Cu1 N3 1.998(16) . ?
Cu1 O3 1.990(15) 4_565 ?
Cu1 N1 2.029(17) . ?
Cu1 O20 2.441(14) . ?
Si1 O26 1.55(3) 3_856 ?
Si1 O26 1.55(3) . ?
Si1 O27 1.56(2) 3_856 ?
Si1 O27 1.56(2) . ?
Si1 O25 1.61(2) . ?
Si1 O25 1.61(2) 3_856 ?
Si1 O24 1.64(3) . ?
Si1 O24 1.64(3) 3_856 ?
O1 C6 1.28(2) . ?
O1 Cu2 1.943(16) . ?
N1 C5 1.31(3) . ?
N1 C1 1.32(3) . ?
C1 C2 1.34(3) . ?
C1 H1A 0.9300 . ?
O1W H3 0.840(10) . ?
O1W H4 0.842(11) . ?
W2 O20 1.655(14) . ?
W2 O9 1.87(2) . ?
W2 O15 1.897(15) . ?
W2 O10 1.903(17) 3_856 ?
W2 O11 1.932(18) . ?
W2 O25 2.35(2) 3_856 ?
W2 O26 2.42(3) 3_856 ?
Cu2 N4 1.952(16) . ?
Cu2 O4 1.960(13) . ?
Cu2 O5 2.024(15) . ?
Cu2 O2 2.166(13) . ?
Cu2 H1 2.600(10) . ?
O2 C7 1.26(2) . ?
N2 C6 1.28(3) . ?
N2 C7 1.40(3) . ?
C2 C3 1.42(3) . ?
C2 H2A 0.9300 . ?
N3 C8 1.32(3) . ?
N3 C12 1.37(3) . ?
C3 C4 1.40(3) . ?
C3 H3A 0.9300 . ?
O3 C18 1.21(2) . ?
O3 Cu1 1.990(15) 4_566 ?
W3 O18 1.711(13) . ?
W3 O13 1.871(15) . ?
W3 O9 1.887(19) . ?
W3 O14 1.890(14) 3_856 ?
W3 O6 1.911(17) . ?
W3 O26 2.41(3) 3_856 ?
W3 O27 2.42(2) 3_856 ?
O4 C18 1.26(2) . ?
N4 C14 1.26(2) . ?
N4 C13 1.36(3) . ?
C4 C5 1.42(3) . ?
C4 H4A 0.9300 . ?
O5 H1 0.841(10) . ?
O5 H2 0.841(10) . ?
C5 C6 1.53(3) . ?
O6 W6 1.95(2) . ?
W4 O19 1.685(15) . ?
W4 O8 1.88(2) . ?
W4 O12 1.920(18) . ?
W4 O23 1.93(2) . ?
W4 O10 1.935(18) . ?
W4 O24 2.38(3) . ?
W4 O25 2.46(2) . ?
C7 C8 1.54(3) . ?
O7 W5 1.87(2) . ?
O7 W6 1.92(2) . ?
W5 O21 1.658(14) . ?
W5 O14 1.878(15) . ?
W5 O16 1.872(17) . ?
W5 O8 1.92(2) . ?
W5 O24 2.35(3) . ?
W5 O27 2.49(2) . ?
C8 C9 1.35(3) . ?
C9 C10 1.43(3) . ?
C9 H9A 0.9300 . ?
O10 W2 1.903(17) 3_856 ?
C10 C11 1.37(3) . ?
C10 H10A 0.9300 . ?
W6 O22 1.681(14) . ?
W6 O11 1.902(19) . ?
W6 O23 1.92(2) . ?
W6 O24 2.42(3) . ?
W6 O26 2.47(3) 3_856 ?
C11 C12 1.34(3) . ?
C11 H11A 0.9300 . ?
O12 W1 1.904(14) 3_856 ?
C12 H12A 0.9300 . ?
O13 W1 1.872(15) 3_856 ?
C13 C17 1.42(3) . ?
C13 C18 1.51(2) . ?
O14 W3 1.890(14) 3_856 ?
C14 C15 1.39(3) . ?
C14 H14A 0.9300 . ?
C15 C16 1.39(3) . ?
C15 H15A 0.9300 . ?
C16 C17 1.42(3) . ?
C16 H16A 0.9300 . ?
C17 H17A 0.9300 . ?
O27 O26 1.75(4) . ?
O27 O25 1.78(3) 3_856 ?
O27 W3 2.42(2) 3_856 ?
O26 O25 1.77(3) . ?
O26 W3 2.41(3) 3_856 ?
O26 W2 2.42(3) 3_856 ?
O26 W6 2.47(3) 3_856 ?
O25 O27 1.78(3) 3_856 ?
O25 W2 2.35(2) 3_856 ?
O25 W1 2.39(2) 3_856 ?

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
O17 W1 O15 101.4(7) . . ?
O17 W1 O13 103.4(7) . 3_856 ?
O15 W1 O13 155.1(8) . 3_856 ?
O17 W1 O12 98.6(9) . 3_856 ?
O15 W1 O12 88.7(7) . 3_856 ?
O13 W1 O12 86.3(7) 3_856 3_856 ?
O17 W1 O16 102.6(8) . . ?
O15 W1 O16 87.3(7) . . ?
O13 W1 O16 88.7(6) 3_856 . ?
O12 W1 O16 158.8(9) 3_856 . ?
O17 W1 O27 160.8(8) . . ?
O15 W1 O27 93.8(8) . . ?
O13 W1 O27 62.3(8) 3_856 . ?
O12 W1 O27 93.3(9) 3_856 . ?
O16 W1 O27 66.3(8) . . ?
O17 W1 O25 155.4(7) . 3_856 ?
O15 W1 O25 60.9(8) . 3_856 ?
O13 W1 O25 95.0(8) 3_856 3_856 ?
O12 W1 O25 66.0(8) 3_856 3_856 ?
O16 W1 O25 93.9(8) . 3_856 ?
O27 W1 O25 43.7(8) . 3_856 ?
N2 Cu1 N3 83.1(7) . . ?
N2 Cu1 O3 171.0(6) . 4_565 ?
N3 Cu1 O3 98.3(7) . 4_565 ?
N2 Cu1 N1 81.3(7) . . ?
N3 Cu1 N1 164.3(7) . . ?
O3 Cu1 N1 97.0(7) 4_565 . ?
N2 Cu1 O20 89.7(7) . . ?
N3 Cu1 O20 92.2(5) . . ?
O3 Cu1 O20 99.1(6) 4_565 . ?
N1 Cu1 O20 88.9(6) . . ?
O26 Si1 O26 180.000(6) 3_856 . ?
O26 Si1 O27 68.6(13) 3_856 3_856 ?
O26 Si1 O27 111.4(13) . 3_856 ?
O26 Si1 O27 111.4(13) 3_856 . ?
O26 Si1 O27 68.6(13) . . ?
O27 Si1 O27 180.0(8) 3_856 . ?
O26 Si1 O25 111.7(13) 3_856 . ?
O26 Si1 O25 68.3(13) . . ?
O27 Si1 O25 68.3(12) 3_856 . ?
O27 Si1 O25 111.7(12) . . ?
O26 Si1 O25 68.3(13) 3_856 3_856 ?
O26 Si1 O25 111.7(13) . 3_856 ?
O27 Si1 O25 111.7(12) 3_856 3_856 ?
O27 Si1 O25 68.3(12) . 3_856 ?
O25 Si1 O25 180.000(4) . 3_856 ?
O26 Si1 O24 73.9(16) 3_856 . ?
O26 Si1 O24 106.1(16) . . ?
O27 Si1 O24 108.2(12) 3_856 . ?
O27 Si1 O24 71.8(12) . . ?
O25 Si1 O24 72.5(12) . . ?
O25 Si1 O24 107.5(12) 3_856 . ?
O26 Si1 O24 106.1(16) 3_856 3_856 ?
O26 Si1 O24 73.9(16) . 3_856 ?
O27 Si1 O24 71.8(12) 3_856 3_856 ?
O27 Si1 O24 108.2(12) . 3_856 ?
O25 Si1 O24 107.5(12) . 3_856 ?
O25 Si1 O24 72.5(12) 3_856 3_856 ?
O24 Si1 O24 180.000(5) . 3_856 ?
C6 O1 Cu2 123.1(14) . . ?
C5 N1 C1 120.1(18) . . ?
C5 N1 Cu1 110.4(14) . . ?
C1 N1 Cu1 129.3(15) . . ?
N1 C1 C2 126(2) . . ?
N1 C1 H1A 116.9 . . ?
C2 C1 H1A 116.9 . . ?
H3 O1W H4 108.9(19) . . ?
O20 W2 O9 99.8(9) . . ?
O20 W2 O15 104.5(8) . . ?
O9 W2 O15 155.7(9) . . ?
O20 W2 O10 99.4(8) . 3_856 ?
O9 W2 O10 89.4(7) . 3_856 ?
O15 W2 O10 87.4(7) . 3_856 ?
O20 W2 O11 98.0(9) . . ?
O9 W2 O11 87.3(7) . . ?
O15 W2 O11 88.6(7) . . ?
O10 W2 O11 162.7(9) 3_856 . ?
O20 W2 O25 159.9(8) . 3_856 ?
O9 W2 O25 95.2(8) . 3_856 ?
O15 W2 O25 61.3(8) . 3_856 ?
O10 W2 O25 67.5(8) 3_856 3_856 ?
O11 W2 O25 95.9(9) . 3_856 ?
O20 W2 O26 156.4(9) . 3_856 ?
O9 W2 O26 63.3(9) . 3_856 ?
O15 W2 O26 93.2(9) . 3_856 ?
O10 W2 O26 96.8(10) 3_856 3_856 ?
O11 W2 O26 66.5(10) . 3_856 ?
O25 W2 O26 43.6(8) 3_856 3_856 ?
O1 Cu2 N4 99.6(8) . . ?
O1 Cu2 O4 142.1(7) . . ?
N4 Cu2 O4 84.3(7) . . ?
O1 Cu2 O5 85.6(7) . . ?
N4 Cu2 O5 172.8(6) . . ?
O4 Cu2 O5 88.6(6) . . ?
O1 Cu2 O2 87.2(6) . . ?
N4 Cu2 O2 94.1(6) . . ?
O4 Cu2 O2 130.4(7) . . ?
O5 Cu2 O2 91.1(5) . . ?
O1 Cu2 H1 90(3) . . ?
N4 Cu2 H1 158.3(10) . . ?
O4 Cu2 H1 77(2) . . ?
O5 Cu2 H1 15.3(5) . . ?
O2 Cu2 H1 106.1(11) . . ?
C7 O2 Cu2 118.0(14) . . ?
C6 N2 C7 120.8(19) . . ?
C6 N2 Cu1 120.2(16) . . ?
C7 N2 Cu1 116.3(13) . . ?
C1 C2 C3 111.9(19) . . ?
C1 C2 H2A 124.0 . . ?
C3 C2 H2A 124.0 . . ?
C8 N3 C12 116.5(17) . . ?
C8 N3 Cu1 114.3(13) . . ?
C12 N3 Cu1 128.4(13) . . ?
C2 C3 C4 125(2) . . ?
C2 C3 H3A 117.3 . . ?
C4 C3 H3A 117.3 . . ?
C18 O3 Cu1 106.6(12) . 4_566 ?
O18 W3 O13 106.6(8) . . ?
O18 W3 O9 97.9(9) . . ?
O13 W3 O9 155.4(9) . . ?
O18 W3 O14 102.5(8) . 3_856 ?
O13 W3 O14 87.1(6) . 3_856 ?
O9 W3 O14 86.7(6) . 3_856 ?
O18 W3 O6 96.7(11) . . ?
O13 W3 O6 91.1(8) . . ?
O9 W3 O6 87.0(7) . . ?
O14 W3 O6 160.4(10) 3_856 . ?
O18 W3 O26 155.2(8) . 3_856 ?
O13 W3 O26 93.4(9) . 3_856 ?
O9 W3 O26 63.3(9) . 3_856 ?
O14 W3 O26 92.9(10) 3_856 3_856 ?
O6 W3 O26 67.8(11) . 3_856 ?
O18 W3 O27 162.3(8) . 3_856 ?
O13 W3 O27 61.6(8) . 3_856 ?
O9 W3 O27 94.2(9) . 3_856 ?
O14 W3 O27 65.3(8) 3_856 3_856 ?
O6 W3 O27 96.8(11) . 3_856 ?
O26 W3 O27 42.4(9) 3_856 3_856 ?
C18 O4 Cu2 113.6(12) . . ?
C14 N4 C13 118.4(17) . . ?
C14 N4 Cu2 129.1(14) . . ?
C13 N4 Cu2 110.8(13) . . ?
C5 C4 C3 112(2) . . ?
C5 C4 H4A 124.2 . . ?
C3 C4 H4A 124.2 . . ?
Cu2 O5 H1 125(2) . . ?
Cu2 O5 H2 113(10) . . ?
H1 O5 H2 109.1(19) . . ?
N1 C5 C4 123.1(19) . . ?
N1 C5 C6 118.1(18) . . ?
C4 C5 C6 118.8(19) . . ?
N2 C6 O1 132(2) . . ?
N2 C6 C5 108.9(19) . . ?
O1 C6 C5 119.1(18) . . ?
W3 O6 W6 133.3(14) . . ?
O19 W4 O8 101.9(10) . . ?
O19 W4 O12 99.2(8) . . ?
O8 W4 O12 158.9(10) . . ?
O19 W4 O23 98.9(11) . . ?
O8 W4 O23 91.4(9) . . ?
O12 W4 O23 86.3(8) . . ?
O19 W4 O10 98.0(8) . . ?
O8 W4 O10 87.2(9) . . ?
O12 W4 O10 88.9(7) . . ?
O23 W4 O10 163.0(11) . . ?
O19 W4 O24 158.2(10) . . ?
O8 W4 O24 63.1(11) . . ?
O12 W4 O24 96.9(10) . . ?
O23 W4 O24 67.5(10) . . ?
O10 W4 O24 96.9(9) . . ?
O19 W4 O25 154.9(8) . . ?
O8 W4 O25 95.4(10) . . ?
O12 W4 O25 64.3(8) . . ?
O23 W4 O25 98.7(10) . . ?
O10 W4 O25 64.6(8) . . ?
O24 W4 O25 46.9(10) . . ?
O2 C7 N2 130(2) . . ?
O2 C7 C8 120.0(18) . . ?
N2 C7 C8 110.2(17) . . ?
W5 O7 W6 136(2) . . ?
O21 W5 O7 100.5(13) . . ?
O21 W5 O14 100.0(8) . . ?
O7 W5 O14 159.4(13) . . ?
O21 W5 O16 100.8(8) . . ?
O7 W5 O16 88.7(11) . . ?
O14 W5 O16 89.6(6) . . ?
O21 W5 O8 100.7(10) . . ?
O7 W5 O8 86.7(11) . . ?
O14 W5 O8 87.4(8) . . ?
O16 W5 O8 158.5(10) . . ?
O21 W5 O24 157.8(9) . . ?
O7 W5 O24 65.3(12) . . ?
O14 W5 O24 94.6(9) . . ?
O16 W5 O24 95.9(10) . . ?
O8 W5 O24 63.1(11) . . ?
O21 W5 O27 156.6(8) . . ?
O7 W5 O27 97.3(14) . . ?
O14 W5 O27 63.7(7) . . ?
O16 W5 O27 64.4(8) . . ?
O8 W5 O27 95.4(10) . . ?
O24 W5 O27 45.5(9) . . ?
W4 O8 W5 136.5(15) . . ?
N3 C8 C9 127(2) . . ?
N3 C8 C7 115.1(17) . . ?
C9 C8 C7 117.7(19) . . ?
W2 O9 W3 139.3(11) . . ?
C8 C9 C10 115(2) . . ?
C8 C9 H9A 122.6 . . ?
C10 C9 H9A 122.6 . . ?
W2 O10 W4 133.7(10) 3_856 . ?
C11 C10 C9 118(2) . . ?
C11 C10 H10A 121.0 . . ?
C9 C10 H10A 121.0 . . ?
O22 W6 O11 98.9(8) . . ?
O22 W6 O7 98.6(13) . . ?
O11 W6 O7 92.9(11) . . ?
O22 W6 O23 97.7(10) . . ?
O11 W6 O23 162.9(11) . . ?
O7 W6 O23 88.5(10) . . ?
O22 W6 O6 98.8(9) . . ?
O11 W6 O6 84.9(8) . . ?
O7 W6 O6 162.6(14) . . ?
O23 W6 O6 88.6(9) . . ?
O22 W6 O24 155.3(10) . . ?
O11 W6 O24 98.6(10) . . ?
O7 W6 O24 63.3(12) . . ?
O23 W6 O24 66.9(10) . . ?
O6 W6 O24 99.9(11) . . ?
O22 W6 O26 158.4(9) . 3_856 ?
O11 W6 O26 65.8(9) . 3_856 ?
O7 W6 O26 97.3(14) . 3_856 ?
O23 W6 O26 97.1(11) . 3_856 ?
O6 W6 O26 66.0(9) . 3_856 ?
O24 W6 O26 46.2(11) . 3_856 ?
W6 O11 W2 134.9(12) . . ?
C12 C11 C10 122(2) . . ?
C12 C11 H11A 119.2 . . ?
C10 C11 H11A 119.2 . . ?
W1 O12 W4 135.7(11) 3_856 . ?
C11 C12 N3 121(2) . . ?
C11 C12 H12A 119.3 . . ?
N3 C12 H12A 119.3 . . ?
W3 O13 W1 140.9(9) . 3_856 ?
N4 C13 C17 126.6(18) . . ?
N4 C13 C18 114.2(15) . . ?
C17 C13 C18 119.0(18) . . ?
W5 O14 W3 138.8(10) . 3_856 ?
N4 C14 C15 122.2(18) . . ?
N4 C14 H14A 118.9 . . ?
C15 C14 H14A 118.9 . . ?
W1 O15 W2 140.8(10) . . ?
C14 C15 C16 120.0(17) . . ?
C14 C15 H15A 120.0 . . ?
C16 C15 H15A 120.0 . . ?
W5 O16 W1 136.4(10) . . ?
C15 C16 C17 120.4(18) . . ?
C15 C16 H16A 119.8 . . ?
C17 C16 H16A 119.8 . . ?
C16 C17 C13 111.7(19) . . ?
C16 C17 H17A 124.1 . . ?
C13 C17 H17A 124.1 . . ?
O3 C18 O4 120.1(16) . . ?
O3 C18 C13 123.9(16) . . ?
O4 C18 C13 115.9(15) . . ?
W2 O20 Cu1 139.3(8) . . ?
W6 O23 W4 131.1(14) . . ?
Si1 O24 W5 123.2(14) . . ?
Si1 O24 W4 121.8(14) . . ?
W5 O24 W4 96.6(12) . . ?
Si1 O24 W6 119.2(15) . . ?
W5 O24 W6 95.0(11) . . ?
W4 O24 W6 94.1(10) . . ?
Si1 O27 O26 55.5(12) . . ?
Si1 O27 O25 57.4(11) . 3_856 ?
O26 O27 O25 95.7(18) . 3_856 ?
Si1 O27 W1 125.7(12) . . ?
O26 O27 W1 136.3(16) . . ?
O25 O27 W1 68.3(10) 3_856 . ?
Si1 O27 W3 124.2(13) . 3_856 ?
O26 O27 W3 68.7(12) . 3_856 ?
O25 O27 W3 136.2(14) 3_856 3_856 ?
W1 O27 W3 94.5(8) . 3_856 ?
Si1 O27 W5 119.5(11) . . ?
O26 O27 W5 126.9(16) . . ?
O25 O27 W5 127.2(14) 3_856 . ?
W1 O27 W5 92.2(9) . . ?
W3 O27 W5 91.9(8) 3_856 . ?
Si1 O26 O27 55.9(12) . . ?
Si1 O26 O25 57.6(12) . . ?
O27 O26 O25 96.2(18) . . ?
Si1 O26 W3 124.8(15) . 3_856 ?
O27 O26 W3 68.9(12) . 3_856 ?
O25 O26 W3 134(2) . 3_856 ?
Si1 O26 W2 123.7(15) . 3_856 ?
O27 O26 W2 135(2) . 3_856 ?
O25 O26 W2 66.1(12) . 3_856 ?
W3 O26 W2 93.5(10) 3_856 3_856 ?
Si1 O26 W6 120.7(18) . 3_856 ?
O27 O26 W6 128.0(17) . 3_856 ?
O25 O26 W6 126.8(17) . 3_856 ?
W3 O26 W6 92.9(9) 3_856 3_856 ?
W2 O26 W6 92.7(9) 3_856 3_856 ?
Si1 O25 O26 54.1(11) . . ?
Si1 O25 O27 54.3(10) . 3_856 ?
O26 O25 O27 92.3(16) . 3_856 ?
Si1 O25 W2 124.3(11) . 3_856 ?
O26 O25 W2 70.3(11) . 3_856 ?
O27 O25 W2 136.6(14) 3_856 3_856 ?
Si1 O25 W1 122.2(11) . 3_856 ?
O26 O25 W1 135.2(16) . 3_856 ?
O27 O25 W1 67.9(10) 3_856 3_856 ?
W2 O25 W1 96.4(9) 3_856 3_856 ?
Si1 O25 W4 118.7(12) . . ?
O26 O25 W4 128.9(16) . . ?
O27 O25 W4 125.7(13) 3_856 . ?
W2 O25 W4 94.2(8) 3_856 . ?
W1 O25 W4 93.6(7) 3_856 . ?

_diffrn_measured_fraction_theta_max 0.944
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.944
_refine_diff_density_max         5.436
_refine_diff_density_min         -5.578
_refine_diff_density_rms         0.424
_database_code_depnum_ccdc_archive 'CCDC 994160'
