# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2017

####################################################################### 
# 
# 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_exp_4083
_database_code_depnum_ccdc_archive 'CCDC 1568674'
_audit_update_record             
;
2017-08-13 deposited with the CCDC.
2017-10-12 downloaded from the CCDC.
;
_audit_creation_date             2017-07-29
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.07.20 svn.r3457 for OlexSys, GUI svn.r5370)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Cu3 H22 O50 W12, 24(H2 O)'
_chemical_formula_sum            'Cu3 H70 O74 W12'
_chemical_formula_weight         3651.29
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cu Cu 0.3201 1.2651 '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'
O O 0.0106 0.0060 '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                   10.6753(5)
_cell_length_b                   12.7814(5)
_cell_length_c                   13.0976(5)
_cell_angle_alpha                113.737(4)
_cell_angle_beta                 90.433(3)
_cell_angle_gamma                112.560(4)
_cell_volume                     1482.73(12)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    6153
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.499
_cell_measurement_theta_min      2.971
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    24.359
_exptl_absorpt_correction_T_max  0.008
_exptl_absorpt_correction_T_min  0.004
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    4.071
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1621
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0457
_diffrn_reflns_av_unetI/netI     0.0700
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12665
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.499
_diffrn_reflns_theta_min         2.971
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.0971
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5399
_reflns_number_total             6153
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.096
_refine_diff_density_min         -1.320
_refine_diff_density_rms         0.314
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     453
_refine_ls_number_reflns         6153
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0552
_refine_ls_R_factor_gt           0.0482
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0566P)²+4.6216P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0800
_refine_ls_wR_factor_ref         0.1062
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All H(H) groups, All O(H,H) groups
2. Restrained distances
 W6-H2
 2.3 with sigma of 0.02
 O2-H2
 0.8 with sigma of 0.02
 W2-H3
 2.3 with sigma of 0.02
 W5-H3_$1
 2.3 with sigma of 0.02
 W4-H3_$1
 2.3 with sigma of 0.02
 W5-H2
 2.5 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(O1) \\sim Ueq, Uanis(O6) \\sim Ueq, Uanis(O9) \\sim Ueq, Uanis(O11) \\sim
Ueq, Uanis(O15) \\sim Ueq, Uanis(O17) \\sim Ueq, Uanis(O21) \\sim Ueq,
Uanis(O24) \\sim Ueq, Uanis(O4) \\sim Ueq, Uanis(O32) \\sim Ueq: with sigma of
0.001 and sigma for terminal atoms of 0.002
Uanis(O4) \\sim Ueq, Uanis(O13) \\sim Ueq, Uanis(O3) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
4.a Free rotating group:
 O33(H33A,H33B), O29(H29A,H29B), O32(H32A,H32B), O35(H35A,H35B), O34(H34A,
 H34B), O28(H28A,H28B), O30(H30A,H30B), O36(H36A,H36B), O27(H27A,H27B),
 O25(H25A,H25B), O31(H31A,H31B), O26(H26A,H26B)
4.b Rotating group:
 O24(H24A,H24B), O22(H22A,H22B), O23(H23A,H23B), O1AA(H1AA,H1AB)
4.c Ternary CH refined with riding coordinates:
 O1(H1)
;
_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 0.24591(5) 0.26005(4) 0.25475(4) 0.00686(13) Uani 1 1 d . . . . .
W3 W -0.09900(5) 0.09909(4) 0.20093(4) 0.00625(13) Uani 1 1 d . . . . .
Cu3 Cu -0.500000 -0.500000 0.000000 0.0085(4) Uani 1 2 d S T P . .
W6 W 0.13246(5) -0.05455(4) 0.24898(4) 0.00633(13) Uani 1 1 d D . . . .
W5 W -0.20787(5) -0.20672(4) 0.21000(4) 0.00733(13) Uani 1 1 d D . . . .
W2 W 0.05129(5) 0.24948(4) 0.04623(4) 0.00610(13) Uani 1 1 d D . . . .
W4 W -0.38695(5) -0.19726(4) 0.00871(4) 0.00666(13) Uani 1 1 d D . . . .
Cu1 Cu 0.000000 0.500000 0.000000 0.0099(5) Uani 1 2 d S T P . .
Cu2 Cu 0.000000 0.000000 0.500000 0.0099(5) Uani 1 2 d S T P . .
O33 O -0.3987(8) 0.1447(6) 0.3880(6) 0.0010(14) Uiso 1 1 d . . . . .
H33A H -0.481965 0.130798 0.369176 0.00(3) Uiso 1 1 d G . . . .
H33B H -0.364661 0.216820 0.444816 0.007 Uiso 1 1 d G . . . .
O29 O -0.2766(8) 0.4528(7) 0.1473(6) 0.0003(15) Uani 1 1 d . . . . .
H29A H -0.288667 0.503848 0.162829 0.00(4) Uiso 1 1 d G . . . .
H29B H -0.339577 0.400081 0.163653 0.06(6) Uiso 1 1 d G . . . .
O6 O 0.2394(8) 0.1032(7) 0.2553(6) 0.0060(16) Uani 1 1 d . U . . .
O10 O -0.3407(9) -0.1580(7) 0.1697(6) 0.010(2) Uani 1 1 d . . . . .
O15 O 0.0459(8) 0.3811(7) 0.0382(6) 0.0062(16) Uani 1 1 d . U . . .
O7 O -0.0661(9) 0.2344(7) 0.1582(6) 0.0086(18) Uani 1 1 d . . . . .
O11 O -0.4938(9) -0.3596(7) -0.0258(6) 0.0073(17) Uani 1 1 d . U . . .
O24 O -0.0025(9) -0.1575(7) 0.5015(6) 0.0077(17) Uani 1 1 d . U . . .
H24A H -0.085837 -0.212573 0.484355 0.012 Uiso 1 1 d GR . . . .
H24B H 0.025685 -0.142592 0.569031 0.012 Uiso 1 1 d GR . . . .
O4 O 0.2061(9) 0.3557(7) 0.1939(6) 0.0067(16) Uani 1 1 d . U . . .
O9 O -0.2178(8) -0.0196(7) 0.0682(6) 0.0057(16) Uani 1 1 d . U . . .
O1 O 0.0726(8) 0.1157(7) 0.1010(6) 0.0061(16) Uani 1 1 d . U . . .
H1 H 0.079957 0.039873 0.046172 0.06(6) Uiso 1 1 calc R . . . .
O5 O 0.0837(9) 0.2289(7) 0.3169(6) 0.011(2) Uani 1 1 d . . . . .
O13 O -0.0311(9) -0.2141(7) 0.2092(6) 0.0084(18) Uani 1 1 d . U . . .
O19 O -0.2056(9) -0.1504(8) 0.3547(6) 0.0104(19) Uani 1 1 d . . . . .
O8 O -0.0822(9) 0.1194(7) -0.0712(6) 0.0099(19) Uani 1 1 d . . . . .
O20 O 0.1289(9) -0.0041(8) 0.3975(6) 0.011(2) Uani 1 1 d . . . . .
O17 O -0.5083(9) -0.1350(7) 0.0229(6) 0.0102(18) Uani 1 1 d . U . . .
O18 O -0.3567(9) -0.2206(7) -0.1383(6) 0.0089(18) Uani 1 1 d . . . . .
O16 O -0.2043(9) 0.1326(8) 0.2983(6) 0.0114(19) Uani 1 1 d . . . . .
O22 O 0.2336(9) 0.6415(8) 0.0514(7) 0.016(2) Uani 1 1 d . . . . .
H22A H 0.248437 0.701356 0.117007 0.024 Uiso 1 1 d GR . . . .
H22B H 0.251812 0.677327 0.007439 0.024 Uiso 1 1 d GR . . . .
O21 O 0.2518(9) -0.1195(7) 0.2338(6) 0.0071(17) Uani 1 1 d . U . . .
O2 O -0.0545(9) -0.0192(7) 0.2294(6) 0.014(2) Uani 1 1 d D . . . .
O3 O 0.1991(9) 0.2370(7) -0.0257(6) 0.0082(18) Uani 1 1 d . U . . .
O14 O 0.3729(9) 0.3743(7) 0.3722(6) 0.012(2) Uani 1 1 d . . . . .
O23 O -0.0333(10) 0.5651(8) 0.1543(7) 0.014(2) Uani 1 1 d . . . . .
H23A H 0.002470 0.647228 0.185682 0.022 Uiso 1 1 d GR . . . .
H23B H 0.011086 0.548971 0.198030 0.022 Uiso 1 1 d GR . . . .
O1AA O -0.6087(9) -0.4611(7) 0.1257(7) 0.012(2) Uani 1 1 d . . . . .
H1AA H -0.554717 -0.423050 0.191242 0.018 Uiso 1 1 d GR . . . .
H1AB H -0.668198 -0.529940 0.125500 0.018 Uiso 1 1 d GR . . . .
O12 O -0.3080(9) -0.3698(7) 0.1533(7) 0.011(2) Uani 1 1 d . . . . .
O32 O -0.4934(11) 0.0940(9) 0.1997(7) 0.018(2) Uani 1 1 d . U . . .
H32A H -0.574700 0.089447 0.192016 0.027 Uiso 1 1 d G . . . .
H32B H -0.479292 0.051084 0.135639 0.027 Uiso 1 1 d G . . . .
O35 O -0.4881(10) -0.0774(8) 0.3255(7) 0.015(2) Uani 1 1 d . . . . .
H35A H -0.494565 -0.095611 0.381488 0.022 Uiso 1 1 d G . . . .
H35B H -0.441976 -0.111636 0.282389 0.022 Uiso 1 1 d G . . . .
O34 O -0.2464(13) 0.1821(11) 0.5498(8) 0.029(3) Uani 1 1 d . . . . .
H34A H -0.237545 0.247140 0.609173 0.044 Uiso 1 1 d G . . . .
H34B H -0.289313 0.116599 0.559829 0.044 Uiso 1 1 d G . . . .
O28 O 0.4271(11) 0.1376(11) 0.5053(7) 0.032(3) Uani 1 1 d . . . . .
H28A H 0.395512 0.152725 0.566497 0.048 Uiso 1 1 d G . . . .
H28B H 0.361072 0.084514 0.449076 0.048 Uiso 1 1 d G . . . .
O30 O -0.2766(11) 0.3112(10) 0.2095(9) 0.028(3) Uani 1 1 d . . . . .
H30A H -0.209332 0.327550 0.257106 0.042 Uiso 1 1 d G . . . .
H30B H -0.246934 0.350044 0.168924 0.042 Uiso 1 1 d G . . . .
O36 O -0.4819(13) -0.3834(11) 0.3461(9) 0.044(4) Uani 1 1 d . . . . .
H36A H -0.434685 -0.337809 0.413234 0.066 Uiso 1 1 d G . . . .
H36B H -0.436970 -0.347793 0.307020 0.066 Uiso 1 1 d G . . . .
O27 O 0.2261(18) 0.3998(12) 0.6463(9) 0.045(4) Uani 1 1 d . . . . .
H27A H 0.271162 0.360190 0.608345 0.067 Uiso 1 1 d G . . . .
H27B H 0.209047 0.439169 0.613051 0.067 Uiso 1 1 d G . . . .
O25 O 0.121(2) 0.5590(14) 0.3079(13) 0.084(7) Uani 1 1 d . . . . .
H25A H 0.184141 0.621820 0.303651 0.126 Uiso 1 1 d G . . . .
H25B H 0.155429 0.554092 0.363573 0.126 Uiso 1 1 d G . . . .
O31 O -0.3625(18) 0.3596(13) 0.4409(15) 0.084(6) Uani 1 1 d . . . . .
H31A H -0.396522 0.344309 0.494506 0.126 Uiso 1 1 d G . . . .
H31B H -0.403336 0.395315 0.420101 0.126 Uiso 1 1 d G . . . .
O26 O 0.0987(19) 0.4646(17) 0.479(2) 0.145(12) Uani 1 1 d . . . . .
H26A H 0.151053 0.519951 0.542362 0.217 Uiso 1 1 d G . . . .
H26B H 0.143935 0.428791 0.436044 0.217 Uiso 1 1 d G . . . .
H2 H -0.044(2) -0.037(3) 0.165(2) 2(4) Uiso 1 1 d D . . . .
H3 H 0.257(2) 0.303(3) -0.0149(17) 0.04(5) 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 O6 1.983(8) . ?
W1 O4 1.868(8) . ?
W1 O1 2.283(7) . ?
W1 O5 1.890(9) . ?
W1 O18 1.961(9) 2 ?
W1 O14 1.726(8) . ?
W3 O7 1.935(8) . ?
W3 O9 1.816(7) . ?
W3 O1 2.253(8) . ?
W3 O5 2.075(8) . ?
W3 O16 1.739(9) . ?
W3 O2 1.911(10) . ?
Cu3 O11 1.933(8) . ?
Cu3 O11 1.933(8) 2_445 ?
Cu3 O1AA 2.029(8) 2_445 ?
Cu3 O1AA 2.029(9) . ?
Cu3 O12 2.373(8) 2_445 ?
Cu3 O12 2.373(8) . ?
W6 O6 1.863(7) . ?
W6 O13 1.969(7) . ?
W6 O8 2.118(7) 2 ?
W6 O20 1.792(7) . ?
W6 O21 1.742(9) . ?
W6 O2 2.243(11) . ?
W5 O10 1.900(10) . ?
W5 O13 1.925(10) . ?
W5 O19 1.731(7) . ?
W5 O2 2.232(7) . ?
W5 O3 2.294(7) 2 ?
W5 O12 1.752(7) . ?
W2 O15 1.750(8) . ?
W2 O7 1.957(8) . ?
W2 O4 2.105(7) . ?
W2 O1 2.185(8) . ?
W2 O8 1.803(7) . ?
W2 O3 1.870(9) . ?
W4 O10 1.971(7) . ?
W4 O11 1.797(7) . ?
W4 O9 2.105(7) . ?
W4 O17 1.738(10) . ?
W4 O18 1.877(7) . ?
W4 O3 2.279(9) 2 ?
Cu1 O15 1.995(8) . ?
Cu1 O15 1.995(8) 2_565 ?
Cu1 O22 2.340(9) . ?
Cu1 O22 2.340(9) 2_565 ?
Cu1 O23 1.947(8) 2_565 ?
Cu1 O23 1.947(8) . ?
Cu2 O24 2.011(8) 2_556 ?
Cu2 O24 2.011(8) . ?
Cu2 O19 2.427(8) 2_556 ?
Cu2 O19 2.427(8) . ?
Cu2 O20 1.930(8) 2_556 ?
Cu2 O20 1.930(8) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O6 W1 O1 80.8(3) . . ?
O4 W1 O6 155.5(3) . . ?
O4 W1 O1 75.3(3) . . ?
O4 W1 O5 93.1(4) . . ?
O4 W1 O18 89.2(4) . 2 ?
O5 W1 O6 86.3(4) . . ?
O5 W1 O1 75.8(3) . . ?
O5 W1 O18 154.7(3) . 2 ?
O18 W1 O6 81.4(3) 2 . ?
O18 W1 O1 80.4(3) 2 . ?
O14 W1 O6 101.7(4) . . ?
O14 W1 O4 102.4(4) . . ?
O14 W1 O1 177.1(4) . . ?
O14 W1 O5 102.8(4) . . ?
O14 W1 O18 101.4(4) . 2 ?
O7 W3 O1 70.3(3) . . ?
O7 W3 O5 82.8(3) . . ?
O9 W3 O7 93.0(3) . . ?
O9 W3 O1 87.8(3) . . ?
O9 W3 O5 160.8(4) . . ?
O9 W3 O2 93.9(4) . . ?
O5 W3 O1 73.1(3) . . ?
O16 W3 O7 98.2(4) . . ?
O16 W3 O9 104.9(4) . . ?
O16 W3 O1 163.6(3) . . ?
O16 W3 O5 94.3(4) . . ?
O16 W3 O2 102.6(4) . . ?
O2 W3 O7 155.6(4) . . ?
O2 W3 O1 86.6(3) . . ?
O2 W3 O5 83.1(3) . . ?
O11 Cu3 O11 180.0 2_445 . ?
O11 Cu3 O1AA 88.8(4) . 2_445 ?
O11 Cu3 O1AA 91.2(4) 2_445 2_445 ?
O11 Cu3 O1AA 88.8(4) 2_445 . ?
O11 Cu3 O1AA 91.2(4) . . ?
O11 Cu3 O12 92.9(3) 2_445 2_445 ?
O11 Cu3 O12 87.1(3) 2_445 . ?
O11 Cu3 O12 92.9(3) . . ?
O11 Cu3 O12 87.1(3) . 2_445 ?
O1AA Cu3 O1AA 180.0 . 2_445 ?
O1AA Cu3 O12 82.9(3) 2_445 2_445 ?
O1AA Cu3 O12 97.1(3) . 2_445 ?
O1AA Cu3 O12 97.1(3) 2_445 . ?
O1AA Cu3 O12 82.9(3) . . ?
O12 Cu3 O12 180.0 2_445 . ?
O6 W6 O13 158.2(4) . . ?
O6 W6 O8 86.5(3) . 2 ?
O6 W6 O2 87.9(3) . . ?
O13 W6 O8 79.7(3) . 2 ?
O13 W6 O2 72.7(3) . . ?
O8 W6 O2 77.2(3) 2 . ?
O20 W6 O6 97.8(3) . . ?
O20 W6 O13 91.7(3) . . ?
O20 W6 O8 164.9(4) . 2 ?
O20 W6 O2 88.4(4) . . ?
O21 W6 O6 101.9(4) . . ?
O21 W6 O13 95.4(4) . . ?
O21 W6 O8 91.9(4) . 2 ?
O21 W6 O20 101.4(4) . . ?
O21 W6 O2 165.0(3) . . ?
O10 W5 O13 152.4(3) . . ?
O10 W5 O2 84.5(4) . . ?
O10 W5 O3 74.5(3) . 2 ?
O13 W5 O2 73.8(3) . . ?
O13 W5 O3 84.0(3) . 2 ?
O19 W5 O10 98.8(4) . . ?
O19 W5 O13 98.9(4) . . ?
O19 W5 O2 92.3(3) . . ?
O19 W5 O3 167.6(4) . 2 ?
O19 W5 O12 105.3(4) . . ?
O2 W5 O3 76.8(3) . 2 ?
O12 W5 O10 99.3(4) . . ?
O12 W5 O13 96.3(4) . . ?
O12 W5 O2 161.1(3) . . ?
O12 W5 O3 86.3(3) . 2 ?
O15 W2 O7 100.2(4) . . ?
O15 W2 O4 94.7(3) . . ?
O15 W2 O1 165.9(3) . . ?
O15 W2 O8 102.8(4) . . ?
O15 W2 O3 101.5(4) . . ?
O7 W2 O4 81.2(3) . . ?
O7 W2 O1 71.4(3) . . ?
O4 W2 O1 73.1(3) . . ?
O8 W2 O7 93.1(3) . . ?
O8 W2 O4 162.3(4) . . ?
O8 W2 O1 89.2(3) . . ?
O8 W2 O3 95.8(4) . . ?
O3 W2 O7 154.2(4) . . ?
O3 W2 O4 83.1(3) . . ?
O3 W2 O1 84.5(3) . . ?
O10 W4 O9 79.2(3) . . ?
O10 W4 O3 73.6(3) . 2 ?
O11 W4 O10 91.2(3) . . ?
O11 W4 O9 162.8(4) . . ?
O11 W4 O18 97.3(3) . . ?
O11 W4 O3 88.0(4) . 2 ?
O9 W4 O3 75.7(3) . 2 ?
O17 W4 O10 97.4(4) . . ?
O17 W4 O11 101.9(4) . . ?
O17 W4 O9 93.5(4) . . ?
O17 W4 O18 101.3(4) . . ?
O17 W4 O3 166.9(3) . 2 ?
O18 W4 O10 157.3(4) . . ?
O18 W4 O9 87.0(3) . . ?
O18 W4 O3 85.7(3) . 2 ?
O15 Cu1 O15 180.0 . 2_565 ?
O15 Cu1 O22 89.5(3) 2_565 . ?
O15 Cu1 O22 90.5(3) 2_565 2_565 ?
O15 Cu1 O22 90.5(3) . . ?
O15 Cu1 O22 89.5(3) . 2_565 ?
O22 Cu1 O22 180.0 2_565 . ?
O23 Cu1 O15 94.0(4) . 2_565 ?
O23 Cu1 O15 86.0(4) . . ?
O23 Cu1 O15 94.0(4) 2_565 . ?
O23 Cu1 O15 86.0(4) 2_565 2_565 ?
O23 Cu1 O22 86.2(3) . 2_565 ?
O23 Cu1 O22 86.2(3) 2_565 . ?
O23 Cu1 O22 93.8(3) 2_565 2_565 ?
O23 Cu1 O22 93.8(3) . . ?
O23 Cu1 O23 180.0 2_565 . ?
O24 Cu2 O24 180.0 . 2_556 ?
O24 Cu2 O19 97.7(3) . 2_556 ?
O24 Cu2 O19 82.3(3) . . ?
O24 Cu2 O19 97.7(3) 2_556 . ?
O24 Cu2 O19 82.3(3) 2_556 2_556 ?
O19 Cu2 O19 180.0 2_556 . ?
O20 Cu2 O24 90.3(4) . 2_556 ?
O20 Cu2 O24 89.7(4) . . ?
O20 Cu2 O24 90.3(4) 2_556 . ?
O20 Cu2 O24 89.7(4) 2_556 2_556 ?
O20 Cu2 O19 95.8(3) 2_556 2_556 ?
O20 Cu2 O19 95.8(3) . . ?
O20 Cu2 O19 84.2(3) . 2_556 ?
O20 Cu2 O19 84.2(3) 2_556 . ?
O20 Cu2 O20 180.0 . 2_556 ?
W6 O6 W1 147.9(5) . . ?
W5 O10 W4 117.7(5) . . ?
W2 O15 Cu1 166.2(4) . . ?
W3 O7 W2 118.6(5) . . ?
W4 O11 Cu3 142.8(5) . . ?
W1 O4 W2 114.6(4) . . ?
W3 O9 W4 137.9(4) . . ?
W3 O1 W1 95.5(3) . . ?
W2 O1 W1 96.9(3) . . ?
W2 O1 W3 97.8(4) . . ?
W1 O5 W3 115.6(4) . . ?
W5 O13 W6 116.8(4) . . ?
W5 O19 Cu2 124.3(4) . . ?
W2 O8 W6 137.7(4) . 2 ?
W6 O20 Cu2 140.5(5) . . ?
W4 O18 W1 147.8(5) . 2 ?
W3 O2 W6 138.0(4) . . ?
W3 O2 W5 125.0(5) . . ?
W5 O2 W6 95.6(4) . . ?
W2 O3 W5 124.8(4) . 2 ?
W2 O3 W4 140.7(4) . 2 ?
W4 O3 W5 92.8(3) 2 2 ?
W5 O12 Cu3 129.0(4) . . ?
