# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_platon_sq
_database_code_depnum_ccdc_archive 'CCDC 2063673'
loop_
_audit_author_name
_audit_author_address
'zhaomin Su'
;Beijing Institute of Technology 
China
;
_audit_update_record             
;
2023-05-02 deposited with the CCDC.	2023-05-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/2
_shelx_SHELXL_version_number     2019/2
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            
'C16.50 H55.50 Cl0.25 Cu6.50 N7 Na0.25 O46.25 P W9'
_chemical_formula_weight         3205.42

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'
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'
Cu Cu 0.3201 1.2651 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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. 
;

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

_cell_length_a                   10.9919(11)
_cell_length_b                   20.479(2)
_cell_length_c                   27.193(3)
_cell_angle_alpha                90
_cell_angle_beta                 91.529(3)
_cell_angle_gamma                90
_cell_volume                     6119.2(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9709
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      31.36

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.479
_exptl_crystal_F_000             5800
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    19.188
_shelx_estimated_absorpt_T_min   0.086
_shelx_estimated_absorpt_T_max   0.130
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.397
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            82582
_diffrn_reflns_av_unetI/netI     0.0359
_diffrn_reflns_av_R_equivalents  0.0424
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_theta_min         1.798
_diffrn_reflns_theta_max         30.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             17725
_reflns_number_gt                14898
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
; 
 The moiety including Cu7 was strongly disordered and we 
 have to divide it into three parts (50% Cu2+ and 25% Na+). 
 19 ISOR, 1 SIMU and 20 DFIX instructions were used to 
 restrain disordered moiety, naphthalenedicarboxylate 
 ligand and hydroxide anions so that there were 152 
 restraints in the data. Hydrogen of water molecules could 
 not be found and others were put in calculated positions. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0125P)²+69.1901P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         17725
_refine_ls_number_parameters     926
_refine_ls_number_restraints     152
_refine_ls_R_factor_all          0.0442
_refine_ls_R_factor_gt           0.0322
_refine_ls_wR_factor_ref         0.0651
_refine_ls_wR_factor_gt          0.0617
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_restrained_S_all      1.071
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

_vrf_PLAT220_platon_sq           
; 
PROBLEM: NonSolvent   Resd 1  C   Ueq(max)/Ueq(min) Range        6.4 Ratio 
RESPONSE: The moiety including Cu7 was strongly disordered 
 and Ueq of ligands was much higher than that of HPA group. 
;
_vrf_PLAT306_platon_sq           
; 
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O44 Check 
RESPONSE: Hydrogen of water molecules could not be found in 
 difference fourier map. 
;
_vrf_PLAT430_platon_sq           
; 
PROBLEM: Short Inter D...A Contact  O5       ..O44      .       2.84 Ang. 
RESPONSE: Hydrogen bond interaction exist but hydrogen atoms 
 could not be found. 
;
_vrf_PLAT971_platon_sq           
; 
PROBLEM: Check Calcd Resid. Dens.  0.78Ang From W3              2.56 eA-3 
RESPONSE: The residual density near tungsten atoms result from tail effect. 
;
_vrf_PLAT972_platon_sq           
; 
PROBLEM: Check Calcd Resid. Dens.  0.74Ang From W3              -2.67 eA-3 
RESPONSE: The residual density near tungsten atoms result from tail effect. 
;

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
P1 P 0.34960(13) 0.65123(7) 0.71301(6) 0.0093(3) Uani 1 1 d . . . . .
W1 W 0.10333(2) 0.75339(2) 0.75228(2) 0.01844(6) Uani 1 1 d . . . . .
W2 W 0.31235(3) 0.81070(2) 0.65543(2) 0.01921(6) Uani 1 1 d . . . . .
W3 W 0.09254(2) 0.67615(2) 0.62932(2) 0.02266(6) Uani 1 1 d . . . . .
W4 W 0.35043(2) 0.72719(2) 0.83049(2) 0.01374(5) Uani 1 1 d . . . . .
W5 W 0.55919(2) 0.77947(2) 0.73313(2) 0.01318(5) Uani 1 1 d . . . . .
W6 W 0.54882(3) 0.70992(2) 0.62075(2) 0.01849(6) Uani 1 1 d . . . . .
W7 W 0.32737(2) 0.57617(2) 0.59395(2) 0.01954(6) Uani 1 1 d . . . . .
W8 W 0.13863(2) 0.52418(2) 0.68245(2) 0.02009(6) Uani 1 1 d . . . . .
W9 W 0.15468(2) 0.60282(2) 0.80585(2) 0.01789(6) Uani 1 1 d . . . . .
Cu1 Cu 0.46734(6) 0.56414(3) 0.80197(3) 0.01217(14) Uani 1 1 d . . . . .
Cu2 Cu 0.45527(6) 0.49507(3) 0.69726(3) 0.01300(14) Uani 1 1 d . . . . .
Cu3 Cu 0.64555(6) 0.61344(3) 0.72228(3) 0.01138(13) Uani 1 1 d . . . . .
Cu4 Cu 0.64992(7) 0.66475(4) 0.83439(3) 0.01736(15) Uani 1 1 d . . . . .
Cu5 Cu 0.29846(7) 0.44266(4) 0.77671(3) 0.01799(16) Uani 1 1 d . . . . .
Cu6 Cu 0.62888(7) 0.53788(4) 0.62251(3) 0.01894(16) Uani 1 1 d . . . . .
O1 O 0.2077(4) 0.8021(2) 0.71049(18) 0.0198(9) Uani 1 1 d . . . . .
O2 O 0.2006(4) 0.7474(2) 0.62641(18) 0.0235(10) Uani 1 1 d . . . . .
O3 O 0.0546(4) 0.7083(2) 0.69306(19) 0.0225(10) Uani 1 1 d . . . . .
O4 O -0.0156(4) 0.8057(2) 0.7606(2) 0.0322(13) Uani 1 1 d . . . . .
O5 O 0.2622(5) 0.8826(2) 0.6291(2) 0.0334(13) Uani 1 1 d . . . . .
O6 O -0.0295(5) 0.7015(3) 0.5946(2) 0.0368(14) Uani 1 1 d . . . . .
O7 O 0.2070(4) 0.7789(2) 0.80560(18) 0.0191(9) Uani 1 1 d . . . . .
O8 O 0.4365(4) 0.8391(2) 0.69837(17) 0.0182(9) Uani 1 1 d . . . . .
O9 O 0.4260(5) 0.7815(2) 0.60981(17) 0.0235(10) Uani 1 1 d . . . . .
O10 O 0.1866(5) 0.6327(2) 0.58115(18) 0.0257(11) Uani 1 1 d . . . . .
O11 O 0.0392(4) 0.5925(2) 0.65071(19) 0.0239(11) Uani 1 1 d . . . . .
O12 O 0.0531(4) 0.6796(2) 0.78755(19) 0.0217(10) Uani 1 1 d . . . . .
O13 O 0.4437(4) 0.77897(19) 0.78453(16) 0.0150(8) Uani 1 1 d . . . . .
O14 O 0.6158(4) 0.7718(2) 0.66668(17) 0.0184(9) Uani 1 1 d . . . . .
O15 O 0.4257(4) 0.6531(2) 0.59332(17) 0.0214(10) Uani 1 1 d . . . . .
O16 O 0.2098(4) 0.5165(2) 0.61949(18) 0.0221(10) Uani 1 1 d . . . . .
O17 O 0.1022(4) 0.5653(2) 0.74410(18) 0.0194(9) Uani 1 1 d . . . . .
O18 O 0.2321(4) 0.6660(2) 0.85081(18) 0.0192(9) Uani 1 1 d . . . . .
O19 O 0.3788(5) 0.7693(2) 0.88402(18) 0.0247(10) Uani 1 1 d . . . . .
O20 O 0.6595(4) 0.8376(2) 0.75566(18) 0.0196(9) Uani 1 1 d . . . . .
O21 O 0.6358(5) 0.7216(2) 0.56996(18) 0.0300(12) Uani 1 1 d . . . . .
O22 O 0.3484(5) 0.5473(3) 0.53552(19) 0.0312(12) Uani 1 1 d . . . . .
O23 O 0.0334(5) 0.4619(2) 0.6816(2) 0.0347(13) Uani 1 1 d . . . . .
O24 O 0.0568(5) 0.5630(2) 0.8447(2) 0.0324(13) Uani 1 1 d . . . . .
O25 O 0.4699(4) 0.6670(2) 0.82982(16) 0.0166(9) Uani 1 1 d . . . . .
O26 O 0.6306(4) 0.70396(19) 0.74957(16) 0.0138(8) Uani 1 1 d . . . . .
O27 O 0.6232(4) 0.6438(2) 0.65370(16) 0.0169(9) Uani 1 1 d . . . . .
O28 O 0.4473(4) 0.5337(2) 0.63111(16) 0.0147(8) Uani 1 1 d . . . . .
O29 O 0.2761(4) 0.4861(2) 0.70987(17) 0.0163(9) Uani 1 1 d . . . . .
O30 O 0.2903(4) 0.55374(19) 0.80807(16) 0.0151(9) Uani 1 1 d . . . . .
O31 O 0.2712(4) 0.67554(19) 0.75568(16) 0.0127(8) Uani 1 1 d . . . . .
O32 O 0.4139(4) 0.71134(19) 0.69071(16) 0.0133(8) Uani 1 1 d . . . . .
O33 O 0.2652(4) 0.6207(2) 0.67312(17) 0.0157(9) Uani 1 1 d . . . . .
O34 O 0.4400(4) 0.60126(19) 0.73211(15) 0.0116(8) Uani 1 1 d . . . . .
O35 O 0.6390(4) 0.5853(2) 0.79146(16) 0.0146(8) Uani 1 1 d D . . . .
H35 H 0.692(5) 0.557(2) 0.797(3) 0.017 Uiso 1 1 d D U . . .
O36 O 0.4664(4) 0.4668(2) 0.76494(16) 0.0148(8) Uani 1 1 d D . . . .
H36 H 0.512(5) 0.435(2) 0.771(3) 0.018 Uiso 1 1 d D U . . .
O37 O 0.6301(4) 0.5235(2) 0.69388(16) 0.0143(8) Uani 1 1 d D . . . .
H37 H 0.676(5) 0.493(2) 0.703(3) 0.017 Uiso 1 1 d D U . . .
O38 O 0.4926(5) 0.5277(2) 0.86838(18) 0.0255(11) Uani 1 1 d . . . . .
O39 O 0.6269(6) 0.5986(3) 0.9019(2) 0.0435(16) Uani 1 1 d . . . . .
O40 O 0.4945(7) 0.3968(3) 0.6620(2) 0.0464(17) Uani 1 1 d . . . . .
O41 O 0.8510(5) 0.6192(3) 0.7244(2) 0.0407(15) Uani 1 1 d . . . . .
C1 C 0.6059(19) 0.5094(14) 0.9860(10) 0.032(4) Uani 0.5 1 d D U P A -1
H1 H 0.687943 0.513184 0.976317 0.039 Uiso 0.5 1 calc R U P A -1
C2 C 0.5118(16) 0.5298(12) 0.9539(7) 0.026(3) Uani 0.5 1 d D U P A -1
C3 C 0.3885(17) 0.5268(17) 0.9695(11) 0.035(4) Uani 0.5 1 d D U P A -1
C4 C 0.2912(12) 0.5512(8) 0.9397(5) 0.030(3) Uani 0.5 1 d D . P A -1
H4 H 0.306145 0.569084 0.908225 0.036 Uiso 0.5 1 calc R U P A -1
C5 C 0.1742(14) 0.5487(9) 0.9569(6) 0.039(4) Uani 0.5 1 d D . P A -1
H5 H 0.108826 0.562606 0.935891 0.046 Uiso 0.5 1 calc R U P A -1
C1' C 0.3632(17) 0.5027(14) 1.0177(10) 0.032(4) Uani 0.5 1 d D . P A -1
C2' C 0.4600(18) 0.4792(12) 1.0474(8) 0.026(3) Uani 0.5 1 d . . P A -1
C3' C 0.581(2) 0.4837(16) 1.0320(12) 0.035(4) Uani 0.5 1 d . . P A -1
H3' H 0.645271 0.469097 1.053078 0.043 Uiso 0.5 1 calc R U P A -1
C4' C 0.2420(14) 0.5005(9) 1.0333(6) 0.042(4) Uani 0.5 1 d D . P A -1
H4' H 0.223987 0.481184 1.063974 0.050 Uiso 0.5 1 calc R U P A -1
C5' C 0.1483(17) 0.5268(12) 1.0038(7) 0.056(6) Uani 0.5 1 d D . P A -1
H5' H 0.067959 0.529571 1.015598 0.067 Uiso 0.5 1 calc R U P A -1
C6 C 0.5518(8) 0.5526(4) 0.9040(3) 0.0306(17) Uani 1 1 d D . . . .
N1 N 0.6645(6) 0.7530(3) 0.8660(3) 0.0356(16) Uani 1 1 d . . . . .
H1A H 0.614192 0.781966 0.850364 0.043 Uiso 1 1 calc R U . . .
H1B H 0.643637 0.750667 0.898158 0.043 Uiso 1 1 calc R U . . .
N2 N 0.8298(5) 0.6620(4) 0.8418(2) 0.0317(15) Uani 1 1 d . . . . .
H2A H 0.853212 0.623632 0.856110 0.038 Uiso 1 1 calc R U . . .
H2B H 0.863750 0.664423 0.811740 0.038 Uiso 1 1 calc R U . . .
C7 C 0.8216(15) 0.8377(8) 0.8889(8) 0.131(8) Uani 1 1 d . . . . .
H7A H 0.801487 0.832792 0.923635 0.197 Uiso 1 1 calc R U . . .
H7B H 0.771840 0.872580 0.874102 0.197 Uiso 1 1 calc R U . . .
H7C H 0.907922 0.848779 0.886459 0.197 Uiso 1 1 calc R U . . .
C8 C 0.7962(10) 0.7745(6) 0.8622(6) 0.079(4) Uani 1 1 d . . . . .
H8 H 0.807161 0.784512 0.826595 0.095 Uiso 1 1 calc R U . . .
C9 C 0.8716(9) 0.7168(6) 0.8724(5) 0.073(4) Uani 1 1 d . . . . .
H9A H 0.957568 0.726712 0.865476 0.088 Uiso 1 1 calc R U . . .
H9B H 0.866648 0.704906 0.907591 0.088 Uiso 1 1 calc R U . . .
N3 N 0.3263(7) 0.4146(3) 0.8469(2) 0.0342(16) Uani 0.66 1 d . . P B 1
H3A H 0.363513 0.374884 0.847963 0.041 Uiso 0.66 1 calc R U P B 1
H3B H 0.374861 0.443908 0.863088 0.041 Uiso 0.66 1 calc R U P B 1
N4 N 0.1266(6) 0.4185(3) 0.7875(3) 0.0358(17) Uani 0.66 1 d . . P B 1
H4A H 0.080156 0.455119 0.789851 0.043 Uiso 0.66 1 calc R U P B 1
H4B H 0.097158 0.394210 0.761809 0.043 Uiso 0.66 1 calc R U P B 1
C10 C 0.1973(13) 0.3730(7) 0.9164(5) 0.043(3) Uani 0.66 1 d . . P B 1
H10A H 0.118361 0.381725 0.931015 0.065 Uiso 0.66 1 calc R U P B 1
H10B H 0.262749 0.386110 0.939539 0.065 Uiso 0.66 1 calc R U P B 1
H10C H 0.204357 0.326287 0.909296 0.065 Uiso 0.66 1 calc R U P B 1
C11 C 0.2070(11) 0.4108(4) 0.8701(4) 0.059(3) Uani 0.66 1 d . . P B 1
H11 H 0.178207 0.456327 0.876260 0.071 Uiso 0.66 1 calc R U P B 1
C12 C 0.1224(10) 0.3800(4) 0.8342(4) 0.058(3) Uani 0.66 1 d . . P B 1
H12A H 0.038751 0.380036 0.846841 0.070 Uiso 0.66 1 calc R U P B 1
H12B H 0.146847 0.334222 0.828189 0.070 Uiso 0.66 1 calc R U P B 1
N3' N 0.1266(6) 0.4185(3) 0.7875(3) 0.0358(17) Uani 0.34 1 d . . P B 2
H3'A H 0.080156 0.455119 0.789851 0.043 Uiso 0.34 1 calc R U P B 2
H3'B H 0.097158 0.394210 0.761809 0.043 Uiso 0.34 1 calc R U P B 2
N4' N 0.3263(7) 0.4146(3) 0.8469(2) 0.0342(16) Uani 0.34 1 d . . P B 2
H4'A H 0.363513 0.374884 0.847963 0.041 Uiso 0.34 1 calc R U P B 2
H4'B H 0.374861 0.443908 0.863088 0.041 Uiso 0.34 1 calc R U P B 2
C10' C 0.0180(19) 0.3753(13) 0.8680(9) 0.042(6) Uani 0.34 1 d D . P B 2
H10D H 0.034754 0.341284 0.892618 0.063 Uiso 0.34 1 calc R U P B 2
H10E H -0.056226 0.364296 0.849075 0.063 Uiso 0.34 1 calc R U P B 2
H10F H 0.007080 0.417318 0.884608 0.063 Uiso 0.34 1 calc R U P B 2
C11' C 0.1224(10) 0.3800(4) 0.8342(4) 0.058(3) Uani 0.34 1 d D . P B 2
H11' H 0.152108 0.334817 0.827422 0.070 Uiso 0.34 1 calc R U P B 2
C12' C 0.2070(11) 0.4108(4) 0.8701(4) 0.059(3) Uani 0.34 1 d . . P B 2
H12C H 0.178193 0.455080 0.878639 0.071 Uiso 0.34 1 calc R U P B 2
H12D H 0.213026 0.384404 0.900550 0.071 Uiso 0.34 1 calc R U P B 2
N5 N 0.8062(6) 0.5228(4) 0.6164(3) 0.0453(19) Uani 0.5 1 d . . P C 1
H5A H 0.848798 0.554695 0.632505 0.054 Uiso 0.5 1 calc R U P C 1
H5B H 0.827141 0.483655 0.630081 0.054 Uiso 0.5 1 calc R U P C 1
N6 N 0.6305(7) 0.5569(4) 0.5511(2) 0.0383(17) Uani 0.5 1 d . . P C 1
H6A H 0.602854 0.521809 0.533610 0.046 Uiso 0.5 1 calc R U P C 1
H6B H 0.581706 0.591679 0.543862 0.046 Uiso 0.5 1 calc R U P C 1
C13 C 0.9582(17) 0.5132(17) 0.5447(9) 0.095(10) Uani 0.5 1 d D U P C 1
H13A H 0.952269 0.501495 0.509767 0.143 Uiso 0.5 1 calc R U P C 1
H13B H 0.998821 0.477867 0.563117 0.143 Uiso 0.5 1 calc R U P C 1
H13C H 1.005420 0.553507 0.548652 0.143 Uiso 0.5 1 calc R U P C 1
C14 C 0.8360(10) 0.5230(8) 0.5635(5) 0.080(4) Uani 0.5 1 d D . P C 1
H14 H 0.795573 0.481641 0.552359 0.096 Uiso 0.5 1 calc R U P C 1
C15 C 0.7567(11) 0.5715(6) 0.5389(5) 0.077(4) Uani 0.5 1 d . . P C 1
H15A H 0.778810 0.616006 0.550186 0.092 Uiso 0.5 1 calc R U P C 1
H15B H 0.766355 0.569387 0.502831 0.092 Uiso 0.5 1 calc R U P C 1
N5' N 0.6305(7) 0.5569(4) 0.5511(2) 0.0383(17) Uani 0.5 1 d . . P C 2
H5'A H 0.602854 0.521809 0.533610 0.046 Uiso 0.5 1 calc R U P C 2
H5'B H 0.581706 0.591679 0.543862 0.046 Uiso 0.5 1 calc R U P C 2
N6' N 0.8062(6) 0.5228(4) 0.6164(3) 0.0453(19) Uani 0.5 1 d . . P C 2
H6'A H 0.848798 0.554695 0.632505 0.054 Uiso 0.5 1 calc R U P C 2
H6'B H 0.827141 0.483655 0.630081 0.054 Uiso 0.5 1 calc R U P C 2
C13' C 0.795(3) 0.5970(13) 0.4913(7) 0.082(8) Uani 0.5 1 d D . P C 2
H13D H 0.776038 0.564981 0.465423 0.123 Uiso 0.5 1 calc R U P C 2
H13E H 0.883119 0.605061 0.492657 0.123 Uiso 0.5 1 calc R U P C 2
H13F H 0.752190 0.637907 0.483989 0.123 Uiso 0.5 1 calc R U P C 2
C14' C 0.7567(11) 0.5715(6) 0.5389(5) 0.077(4) Uani 0.5 1 d D . P C 2
H14' H 0.772551 0.610414 0.560333 0.092 Uiso 0.5 1 calc R U P C 2
C15' C 0.8360(10) 0.5230(8) 0.5635(5) 0.080(4) Uani 0.5 1 d . . P C 2
H15C H 0.922520 0.534760 0.559432 0.096 Uiso 0.5 1 calc R U P C 2
H15D H 0.821785 0.479251 0.548988 0.096 Uiso 0.5 1 calc R U P C 2
C16 C 0.123(3) 0.6731(14) 1.0057(16) 0.168(13) Uani 0.5 1 d D U P . .
H16A H 0.134341 0.648686 0.975173 0.252 Uiso 0.5 1 calc R U P . .
H16B H 0.038003 0.686933 1.007575 0.252 Uiso 0.5 1 calc R U P . .
H16C H 0.143949 0.645051 1.033934 0.252 Uiso 0.5 1 calc R U P . .
C17 C 0.205(2) 0.7329(12) 1.0065(11) 0.107(6) Uani 0.5 1 d D U P F .
H17 H 0.210974 0.747674 1.041555 0.129 Uiso 0.5 1 calc R U P . .
C18 C 0.135(2) 0.7856(11) 0.9786(11) 0.097(7) Uani 0.5 1 d D U P F .
H18A H 0.099492 0.768689 0.947248 0.116 Uiso 0.5 1 calc R U P . .
H18B H 0.068972 0.803865 0.998605 0.116 Uiso 0.5 1 calc R U P . .
N7 N 0.326(2) 0.7150(13) 0.9936(10) 0.112(7) Uani 0.5 1 d D U P . .
H7D H 0.324834 0.681144 0.971879 0.134 Uiso 0.5 1 calc R U P D 1
H7E H 0.371085 0.703143 1.020738 0.134 Uiso 0.5 1 calc R U P D 1
N8 N 0.2294(17) 0.8340(9) 0.9701(7) 0.061(5) Uani 0.5 1 d D U P . .
H8A H 0.232077 0.862881 0.995504 0.074 Uiso 0.5 1 calc R U P E 1
H8B H 0.210438 0.856545 0.942081 0.074 Uiso 0.5 1 calc R U P E 1
Cl1A Cl 0.4849(9) 0.8883(4) 0.9505(2) 0.015(3) Uani 0.065(11) 1 d . U P F 1
O42A O 0.4849(9) 0.8883(4) 0.9505(2) 0.015(3) Uani 0.5 1 d . . P F 1
Cu7 Cu 0.3936(3) 0.79270(16) 0.96373(11) 0.0376(6) Uani 0.39 1 d . U P F 1
O43 O 0.599(4) 0.710(2) 0.9719(16) 0.087(12) Uani 0.32 1 d . U P F 1
Cu7' Cu 0.3666(9) 0.8399(5) 0.9554(3) 0.036(2) Uani 0.11 1 d . U P F 2
O42 O 0.375(2) 0.9153(9) 0.9143(9) 0.034(5) Uani 0.25 1 d . U P F 2
O43A O 0.547(2) 0.7459(12) 0.9750(7) 0.066(6) Uani 0.4 1 d . U P F 2
Cl1 Cl 0.5426(16) 0.8715(6) 0.9510(4) 0.034(4) Uani 0.185(11) 1 d . U P F 3
Na1 Na 0.4514(14) 0.7735(7) 0.9715(5) 0.037(3) Uani 0.25 1 d . U P F 3
O43B O 0.663(3) 0.695(2) 0.9707(11) 0.082(11) Uani 0.28 1 d . U P F 3
O47 O 0.2240(16) 0.7991(9) 0.9520(6) 0.069(5) Uani 0.5 1 d . U P F 3
O44 O 0.8190(6) 0.0046(3) 0.3208(3) 0.0555(19) Uani 1 1 d . . . . .
O45 O 0.2134(7) 0.5713(3) 0.2708(3) 0.066(2) Uani 1 1 d . . . . .
O46 O 0.1322(8) 0.8704(4) 0.8752(4) 0.082(3) 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
P1 O34 1.509(4) . ?
P1 O33 1.541(4) . ?
P1 O31 1.546(4) . ?
P1 O32 1.551(4) . ?
W1 O4 1.709(5) . ?
W1 O12 1.880(5) . ?
W1 O7 1.893(5) . ?
W1 O1 1.916(5) . ?
W1 O3 1.920(5) . ?
W1 O31 2.438(4) . ?
W2 O5 1.722(5) . ?
W2 O8 1.865(5) . ?
W2 O9 1.881(5) . ?
W2 O1 1.920(5) . ?
W2 O2 1.940(5) . ?
W2 O32 2.500(4) . ?
W3 O6 1.702(5) . ?
W3 O2 1.884(5) . ?
W3 O11 1.906(5) . ?
W3 O10 1.910(5) . ?
W3 O3 1.911(5) . ?
W3 O33 2.488(4) . ?
W4 O19 1.714(5) . ?
W4 O25 1.802(4) . ?
W4 O18 1.898(4) . ?
W4 O13 1.951(4) . ?
W4 O7 2.002(4) . ?
W4 O31 2.433(4) . ?
W5 O20 1.724(4) . ?
W5 O26 1.786(4) . ?
W5 O13 1.913(4) . ?
W5 O14 1.933(4) . ?
W5 O8 2.034(4) . ?
W5 O32 2.393(4) . ?
W6 O21 1.717(5) . ?
W6 O27 1.808(4) . ?
W6 O14 1.912(4) . ?
W6 O15 1.921(5) . ?
W6 O9 2.009(5) . ?
W6 O32 2.443(4) . ?
W7 O22 1.716(5) . ?
W7 O28 1.856(4) . ?
W7 O15 1.910(5) . ?
W7 O16 1.922(5) . ?
W7 O10 1.956(5) . ?
W7 O33 2.452(5) . ?
W8 O23 1.721(5) . ?
W8 O29 1.840(4) . ?
W8 O16 1.908(5) . ?
W8 O17 1.928(5) . ?
W8 O11 1.962(4) . ?
W8 O33 2.435(4) . ?
W9 O24 1.731(5) . ?
W9 O30 1.797(4) . ?
W9 O17 1.921(5) . ?
W9 O18 1.960(5) . ?
W9 O12 1.984(4) . ?
W9 O31 2.411(4) . ?
Cu1 O35 1.964(4) . ?
Cu1 O38 1.967(5) . ?
Cu1 O30 1.969(4) . ?
Cu1 O34 2.061(4) . ?
Cu1 O36 2.234(4) . ?
Cu1 O25 2.239(4) . ?
Cu1 Cu4 2.9925(11) . ?
Cu2 O36 1.930(4) . ?
Cu2 O28 1.965(4) . ?
Cu2 O37 2.012(4) . ?
Cu2 O29 2.016(4) . ?
Cu2 O40 2.274(6) . ?
Cu2 O34 2.380(4) . ?
Cu2 Cu6 2.9579(11) . ?
Cu2 Cu5 2.9981(11) . ?
Cu3 O35 1.971(4) . ?
Cu3 O27 1.975(4) . ?
Cu3 O37 2.003(4) . ?
Cu3 O26 2.005(4) . ?
Cu3 O41 2.260(5) . ?
Cu3 O34 2.296(4) . ?
Cu4 O25 1.979(4) . ?
Cu4 N2 1.983(6) . ?
Cu4 O35 2.005(4) . ?
Cu4 N1 2.006(6) . ?
Cu4 O39 2.301(6) . ?
Cu5 O36 1.946(4) . ?
Cu5 N3' 1.982(6) . ?
Cu5 N4 1.982(6) . ?
Cu5 N4' 2.008(6) . ?
Cu5 N3 2.008(6) . ?
Cu5 O29 2.033(5) . ?
Cu5 O20 2.375(4) 2_646 ?
Cu5 O30 2.432(4) . ?
Cu6 O37 1.963(4) . ?
Cu6 N5' 1.980(7) . ?
Cu6 N6 1.980(7) . ?
Cu6 N6' 1.985(7) . ?
Cu6 N5 1.985(7) . ?
Cu6 O28 2.018(4) . ?
Cu6 O27 2.330(4) . ?
O19 Cu7 2.222(6) . ?
O19 Cu7' 2.426(11) . ?
O19 Na1 2.492(16) . ?
O35 H35 0.840(6) . ?
O36 H36 0.840(6) . ?
O37 H37 0.840(6) . ?
O38 C6 1.261(9) . ?
O39 C6 1.254(10) . ?
C1 C3' 1.39(4) . ?
C1 C2 1.399(18) . ?
C1 H1 0.9500 . ?
C2 C3 1.432(18) . ?
C2 C6 1.513(16) . ?
C3 C4 1.415(17) . ?
C3 C1' 1.43(4) . ?
C4 C5 1.381(15) . ?
C4 H4 0.9500 . ?
C5 C5' 1.39(2) . ?
C5 H5 0.9500 . ?
C1' C2' 1.40(3) . ?
C1' C4' 1.409(17) . ?
C2' C3' 1.40(3) . ?
C3' H3' 0.9500 . ?
C4' C5' 1.396(16) . ?
C4' H4' 0.9500 . ?
C5' H5' 0.9500 . ?
N1 C8 1.519(13) . ?
N1 H1A 0.9100 . ?
N1 H1B 0.9100 . ?
N2 C9 1.464(11) . ?
N2 H2A 0.9100 . ?
N2 H2B 0.9100 . ?
C7 C8 1.506(16) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.466(16) . ?
C8 H8 1.0000 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
N3 C11 1.472(12) . ?
N3 H3A 0.9100 . ?
N3 H3B 0.9100 . ?
N4 C12 1.497(12) . ?
N4 H4A 0.9100 . ?
N4 H4B 0.9100 . ?
C10 C11 1.485(15) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.473(16) . ?
C11 H11 1.0000 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
N3' C11' 1.497(12) . ?
N3' H3'A 0.9100 . ?
N3' H3'B 0.9100 . ?
N4' C12' 1.472(12) . ?
N4' H4'A 0.9100 . ?
N4' H4'B 0.9100 . ?
C10' C11' 1.493(16) . ?
C10' H10D 0.9800 . ?
C10' H10E 0.9800 . ?
C10' H10F 0.9800 . ?
C11' C12' 1.473(16) . ?
C11' H11' 1.0000 . ?
C12' H12C 0.9900 . ?
C12' H12D 0.9900 . ?
N5 C14 1.484(14) . ?
N5 H5A 0.9100 . ?
N5 H5B 0.9100 . ?
N6 C15 1.466(13) . ?
N6 H6A 0.9100 . ?
N6 H6B 0.9100 . ?
C13 C14 1.464(16) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.470(17) . ?
C14 H14 1.0000 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
N5' C14' 1.466(13) . ?
N5' H5'A 0.9100 . ?
N5' H5'B 0.9100 . ?
N6' C15' 1.484(14) . ?
N6' H6'A 0.9100 . ?
N6' H6'B 0.9100 . ?
C13' C14' 1.469(15) . ?
C13' H13D 0.9800 . ?
C13' H13E 0.9800 . ?
C13' H13F 0.9800 . ?
C14' C15' 1.470(17) . ?
C14' H14' 1.0000 . ?
C15' H15C 0.9900 . ?
C15' H15D 0.9900 . ?
C16 C17 1.523(18) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 N7 1.432(17) . ?
C17 C18 1.520(17) . ?
C17 H17 1.0000 . ?
C18 N8 1.460(17) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
N7 Cu7 1.94(2) . ?
N7 H7D 0.9100 . ?
N7 H7E 0.9100 . ?
N8 Cu7 2.00(2) . ?
N8 H8A 0.9100 . ?
N8 H8B 0.9100 . ?
Cl1A Cu7 2.234(7) . ?
Cu7 O43 2.82(4) . ?
Cu7' O42 1.91(2) . ?
Cu7' O43A 2.80(3) . ?
Cl1 Na1 2.318(19) . ?
Na1 O47 2.59(2) . ?
Na1 O43B 2.83(5) . ?

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
O34 P1 O33 110.2(2) . . ?
O34 P1 O31 109.6(2) . . ?
O33 P1 O31 108.8(2) . . ?
O34 P1 O32 111.7(2) . . ?
O33 P1 O32 108.6(2) . . ?
O31 P1 O32 107.9(2) . . ?
O4 W1 O12 101.5(2) . . ?
O4 W1 O7 99.9(2) . . ?
O12 W1 O7 90.5(2) . . ?
O4 W1 O1 103.0(2) . . ?
O12 W1 O1 155.38(18) . . ?
O7 W1 O1 87.3(2) . . ?
O4 W1 O3 102.5(2) . . ?
O12 W1 O3 87.9(2) . . ?
O7 W1 O3 157.45(19) . . ?
O1 W1 O3 84.9(2) . . ?
O4 W1 O31 170.0(2) . . ?
O12 W1 O31 71.79(16) . . ?
O7 W1 O31 73.26(16) . . ?
O1 W1 O31 84.15(16) . . ?
O3 W1 O31 84.90(16) . . ?
O5 W2 O8 102.4(2) . . ?
O5 W2 O9 102.0(2) . . ?
O8 W2 O9 91.4(2) . . ?
O5 W2 O1 102.2(2) . . ?
O8 W2 O1 89.1(2) . . ?
O9 W2 O1 155.04(18) . . ?
O5 W2 O2 102.1(2) . . ?
O8 W2 O2 155.25(18) . . ?
O9 W2 O2 86.7(2) . . ?
O1 W2 O2 82.5(2) . . ?
O5 W2 O32 172.1(2) . . ?
O8 W2 O32 72.66(16) . . ?
O9 W2 O32 72.33(17) . . ?
O1 W2 O32 84.06(16) . . ?
O2 W2 O32 83.31(16) . . ?
O6 W3 O2 103.2(2) . . ?
O6 W3 O11 101.5(2) . . ?
O2 W3 O11 155.20(19) . . ?
O6 W3 O10 101.2(2) . . ?
O2 W3 O10 88.8(2) . . ?
O11 W3 O10 88.1(2) . . ?
O6 W3 O3 102.2(2) . . ?
O2 W3 O3 85.6(2) . . ?
O11 W3 O3 87.5(2) . . ?
O10 W3 O3 156.62(19) . . ?
O6 W3 O33 170.2(2) . . ?
O2 W3 O33 84.24(17) . . ?
O11 W3 O33 71.39(16) . . ?
O10 W3 O33 72.29(17) . . ?
O3 W3 O33 84.55(17) . . ?
O19 W4 O25 103.7(2) . . ?
O19 W4 O18 101.3(2) . . ?
O25 W4 O18 93.28(19) . . ?
O19 W4 O13 100.6(2) . . ?
O25 W4 O13 88.26(19) . . ?
O18 W4 O13 157.06(19) . . ?
O19 W4 O7 98.3(2) . . ?
O25 W4 O7 157.84(19) . . ?
O18 W4 O7 84.69(19) . . ?
O13 W4 O7 85.34(18) . . ?
O19 W4 O31 169.09(19) . . ?
O25 W4 O31 86.51(17) . . ?
O18 W4 O31 73.98(17) . . ?
O13 W4 O31 83.29(16) . . ?
O7 W4 O31 71.70(16) . . ?
O20 W5 O26 103.7(2) . . ?
O20 W5 O13 100.0(2) . . ?
O26 W5 O13 96.21(19) . . ?
O20 W5 O14 99.8(2) . . ?
O26 W5 O14 90.74(19) . . ?
O13 W5 O14 156.76(19) . . ?
O20 W5 O8 99.23(19) . . ?
O26 W5 O8 156.65(18) . . ?
O13 W5 O8 84.14(18) . . ?
O14 W5 O8 80.84(19) . . ?
O20 W5 O32 170.38(18) . . ?
O26 W5 O32 84.20(16) . . ?
O13 W5 O32 84.37(16) . . ?
O14 W5 O32 74.28(16) . . ?
O8 W5 O32 72.58(16) . . ?
O21 W6 O27 104.4(2) . . ?
O21 W6 O14 102.7(2) . . ?
O27 W6 O14 90.66(19) . . ?
O21 W6 O15 100.0(2) . . ?
O27 W6 O15 92.46(19) . . ?
O14 W6 O15 155.5(2) . . ?
O21 W6 O9 99.5(2) . . ?
O27 W6 O9 155.9(2) . . ?
O14 W6 O9 81.91(19) . . ?
O15 W6 O9 85.4(2) . . ?
O21 W6 O32 170.8(2) . . ?
O27 W6 O32 84.19(17) . . ?
O14 W6 O32 73.41(16) . . ?
O15 W6 O32 82.74(17) . . ?
O9 W6 O32 71.77(17) . . ?
O22 W7 O28 103.4(2) . . ?
O22 W7 O15 100.7(2) . . ?
O28 W7 O15 89.89(19) . . ?
O22 W7 O16 103.0(2) . . ?
O28 W7 O16 88.82(18) . . ?
O15 W7 O16 156.0(2) . . ?
O22 W7 O10 99.5(2) . . ?
O28 W7 O10 157.1(2) . . ?
O15 W7 O10 87.5(2) . . ?
O16 W7 O10 84.5(2) . . ?
O22 W7 O33 171.2(2) . . ?
O28 W7 O33 84.66(16) . . ?
O15 W7 O33 82.64(17) . . ?
O16 W7 O33 73.35(17) . . ?
O10 W7 O33 72.44(17) . . ?
O23 W8 O29 103.6(2) . . ?
O23 W8 O16 102.6(2) . . ?
O29 W8 O16 88.66(19) . . ?
O23 W8 O17 100.4(2) . . ?
O29 W8 O17 91.16(19) . . ?
O16 W8 O17 156.36(18) . . ?
O23 W8 O11 99.0(2) . . ?
O29 W8 O11 157.25(19) . . ?
O16 W8 O11 84.3(2) . . ?
O17 W8 O11 86.8(2) . . ?
O23 W8 O33 170.3(2) . . ?
O29 W8 O33 85.46(16) . . ?
O16 W8 O33 74.00(17) . . ?
O17 W8 O33 82.41(17) . . ?
O11 W8 O33 71.81(16) . . ?
O24 W9 O30 104.2(2) . . ?
O24 W9 O17 99.7(2) . . ?
O30 W9 O17 92.03(19) . . ?
O24 W9 O18 101.4(2) . . ?
O30 W9 O18 90.14(19) . . ?
O17 W9 O18 157.62(19) . . ?
O24 W9 O12 99.9(2) . . ?
O30 W9 O12 155.80(19) . . ?
O17 W9 O12 86.77(19) . . ?
O18 W9 O12 82.23(19) . . ?
O24 W9 O31 169.74(18) . . ?
O30 W9 O31 84.95(16) . . ?
O17 W9 O31 84.47(17) . . ?
O18 W9 O31 73.53(16) . . ?
O12 W9 O31 70.87(16) . . ?
O35 Cu1 O38 96.0(2) . . ?
O35 Cu1 O30 172.53(17) . . ?
O38 Cu1 O30 89.8(2) . . ?
O35 Cu1 O34 84.36(17) . . ?
O38 Cu1 O34 179.31(19) . . ?
O30 Cu1 O34 89.85(17) . . ?
O35 Cu1 O36 97.12(17) . . ?
O38 Cu1 O36 94.24(18) . . ?
O30 Cu1 O36 87.06(17) . . ?
O34 Cu1 O36 85.12(16) . . ?
O35 Cu1 O25 80.69(17) . . ?
O38 Cu1 O25 92.65(18) . . ?
O30 Cu1 O25 94.42(17) . . ?
O34 Cu1 O25 87.99(16) . . ?
O36 Cu1 O25 172.96(16) . . ?
O35 Cu1 Cu4 41.58(12) . . ?
O38 Cu1 Cu4 85.05(15) . . ?
O30 Cu1 Cu4 134.92(13) . . ?
O34 Cu1 Cu4 95.61(12) . . ?
O36 Cu1 Cu4 137.94(11) . . ?
O25 Cu1 Cu4 41.41(11) . . ?
O36 Cu2 O28 173.69(18) . . ?
O36 Cu2 O37 95.40(18) . . ?
O28 Cu2 O37 82.03(18) . . ?
O36 Cu2 O29 81.26(18) . . ?
O28 Cu2 O29 99.91(18) . . ?
O37 Cu2 O29 166.48(17) . . ?
O36 Cu2 O40 97.37(19) . . ?
O28 Cu2 O40 88.53(19) . . ?
O37 Cu2 O40 92.6(2) . . ?
O29 Cu2 O40 100.9(2) . . ?
O36 Cu2 O34 84.16(16) . . ?
O28 Cu2 O34 89.72(16) . . ?
O37 Cu2 O34 80.30(15) . . ?
O29 Cu2 O34 86.31(15) . . ?
O40 Cu2 O34 172.8(2) . . ?
O36 Cu2 Cu6 135.94(13) . . ?
O28 Cu2 Cu6 42.73(12) . . ?
O37 Cu2 Cu6 41.28(13) . . ?
O29 Cu2 Cu6 142.63(13) . . ?
O40 Cu2 Cu6 80.76(17) . . ?
O34 Cu2 Cu6 93.23(10) . . ?
O36 Cu2 Cu5 39.51(13) . . ?
O28 Cu2 Cu5 142.30(13) . . ?
O37 Cu2 Cu5 134.79(13) . . ?
O29 Cu2 Cu5 42.44(13) . . ?
O40 Cu2 Cu5 96.10(17) . . ?
O34 Cu2 Cu5 89.55(10) . . ?
Cu6 Cu2 Cu5 174.35(3) . . ?
O35 Cu3 O27 170.65(18) . . ?
O35 Cu3 O37 95.39(18) . . ?
O27 Cu3 O37 85.30(18) . . ?
O35 Cu3 O26 84.95(17) . . ?
O27 Cu3 O26 92.83(17) . . ?
O37 Cu3 O26 170.41(17) . . ?
O35 Cu3 O41 93.1(2) . . ?
O27 Cu3 O41 96.1(2) . . ?
O37 Cu3 O41 97.58(19) . . ?
O26 Cu3 O41 91.98(19) . . ?
O35 Cu3 O34 78.23(16) . . ?
O27 Cu3 O34 92.64(16) . . ?
O37 Cu3 O34 82.60(15) . . ?
O26 Cu3 O34 88.09(16) . . ?
O41 Cu3 O34 171.2(2) . . ?
O25 Cu4 N2 177.7(2) . . ?
O25 Cu4 O35 86.46(18) . . ?
N2 Cu4 O35 94.6(2) . . ?
O25 Cu4 N1 94.3(2) . . ?
N2 Cu4 N1 85.1(3) . . ?
O35 Cu4 N1 169.8(3) . . ?
O25 Cu4 O39 86.1(2) . . ?
N2 Cu4 O39 91.8(3) . . ?
O35 Cu4 O39 88.9(2) . . ?
N1 Cu4 O39 101.4(3) . . ?
O25 Cu4 Cu1 48.42(13) . . ?
N2 Cu4 Cu1 132.0(2) . . ?
O35 Cu4 Cu1 40.55(13) . . ?
N1 Cu4 Cu1 142.36(19) . . ?
O39 Cu4 Cu1 75.07(14) . . ?
O36 Cu5 N3' 179.0(3) . . ?
O36 Cu5 N4 179.0(3) . . ?
O36 Cu5 N4' 96.2(3) . . ?
N3' Cu5 N4' 84.8(3) . . ?
O36 Cu5 N3 96.2(3) . . ?
N4 Cu5 N3 84.8(3) . . ?
O36 Cu5 O29 80.47(18) . . ?
N3' Cu5 O29 98.5(3) . . ?
N4 Cu5 O29 98.5(3) . . ?
N4' Cu5 O29 170.6(2) . . ?
N3 Cu5 O29 170.6(2) . . ?
O36 Cu5 O20 88.50(17) . 2_646 ?
N4 Cu5 O20 91.4(2) . 2_646 ?
N3 Cu5 O20 93.8(2) . 2_646 ?
O29 Cu5 O20 94.90(17) . 2_646 ?
O36 Cu5 O30 82.22(16) . . ?
N3' Cu5 O30 97.9(2) . . ?
N4 Cu5 O30 97.9(2) . . ?
N4' Cu5 O30 86.6(2) . . ?
N3 Cu5 O30 86.6(2) . . ?
O29 Cu5 O30 84.22(16) . . ?
O20 Cu5 O30 170.70(15) 2_646 . ?
O36 Cu5 Cu2 39.15(13) . . ?
N3' Cu5 Cu2 139.9(2) . . ?
N4 Cu5 Cu2 139.9(2) . . ?
N4' Cu5 Cu2 135.3(2) . . ?
N3 Cu5 Cu2 135.3(2) . . ?
O29 Cu5 Cu2 42.01(12) . . ?
O20 Cu5 Cu2 86.32(12) 2_646 . ?
O30 Cu5 Cu2 86.86(10) . . ?
O37 Cu6 N5' 177.2(3) . . ?
O37 Cu6 N6 177.2(3) . . ?
O37 Cu6 N6' 94.5(3) . . ?
N5' Cu6 N6' 85.1(3) . . ?
O37 Cu6 N5 94.5(3) . . ?
N6 Cu6 N5 85.1(3) . . ?
O37 Cu6 O28 81.93(17) . . ?
N5' Cu6 O28 99.0(3) . . ?
N6 Cu6 O28 99.0(3) . . ?
N6' Cu6 O28 168.4(3) . . ?
N5 Cu6 O28 168.4(3) . . ?
O37 Cu6 O27 77.25(17) . . ?
N5' Cu6 O27 100.1(2) . . ?
N6 Cu6 O27 100.1(2) . . ?
N6' Cu6 O27 102.2(3) . . ?
N5 Cu6 O27 102.2(3) . . ?
O28 Cu6 O27 87.80(16) . . ?
O37 Cu6 Cu2 42.56(12) . . ?
N5' Cu6 Cu2 139.0(2) . . ?
N6 Cu6 Cu2 139.0(2) . . ?
N6' Cu6 Cu2 131.6(2) . . ?
N5 Cu6 Cu2 131.6(2) . . ?
O28 Cu6 Cu2 41.35(12) . . ?
O27 Cu6 Cu2 90.10(11) . . ?
W1 O1 W2 153.0(3) . . ?
W3 O2 W2 153.3(3) . . ?
W3 O3 W1 149.8(3) . . ?
W1 O7 W4 124.4(2) . . ?
W2 O8 W5 124.6(2) . . ?
W2 O9 W6 126.1(2) . . ?
W3 O10 W7 126.4(2) . . ?
W3 O11 W8 127.1(2) . . ?
W1 O12 W9 126.4(2) . . ?
W5 O13 W4 147.3(2) . . ?
W6 O14 W5 122.5(2) . . ?
W7 O15 W6 152.8(3) . . ?
W8 O16 W7 124.6(2) . . ?
W9 O17 W8 150.5(2) . . ?
W4 O18 W9 122.9(2) . . ?
W4 O19 Cu7 160.8(3) . . ?
W4 O19 Cu7' 165.2(4) . . ?
W4 O19 Na1 151.1(4) . . ?
W5 O20 Cu5 128.5(2) . 2_656 ?
W4 O25 Cu4 138.0(2) . . ?
W4 O25 Cu1 130.1(2) . . ?
Cu4 O25 Cu1 90.17(17) . . ?
W5 O26 Cu3 138.4(2) . . ?
W6 O27 Cu3 138.3(2) . . ?
W6 O27 Cu6 122.2(2) . . ?
Cu3 O27 Cu6 92.71(17) . . ?
W7 O28 Cu2 134.5(2) . . ?
W7 O28 Cu6 127.4(2) . . ?
Cu2 O28 Cu6 95.92(18) . . ?
W8 O29 Cu2 133.5(2) . . ?
W8 O29 Cu5 128.7(2) . . ?
Cu2 O29 Cu5 95.54(18) . . ?
W9 O30 Cu1 139.2(2) . . ?
W9 O30 Cu5 123.3(2) . . ?
Cu1 O30 Cu5 91.47(15) . . ?
P1 O31 W9 122.7(2) . . ?
P1 O31 W4 125.0(2) . . ?
W9 O31 W4 88.80(14) . . ?
P1 O31 W1 128.2(2) . . ?
W9 O31 W1 90.71(14) . . ?
W4 O31 W1 90.06(13) . . ?
P1 O32 W5 125.4(2) . . ?
P1 O32 W6 126.0(2) . . ?
W5 O32 W6 88.36(13) . . ?
P1 O32 W2 126.3(2) . . ?
W5 O32 W2 89.76(13) . . ?
W6 O32 W2 89.14(13) . . ?
P1 O33 W8 126.2(2) . . ?
P1 O33 W7 126.3(2) . . ?
W8 O33 W7 87.86(13) . . ?
P1 O33 W3 126.1(2) . . ?
W8 O33 W3 89.41(13) . . ?
W7 O33 W3 88.65(14) . . ?
P1 O34 Cu1 130.2(2) . . ?
P1 O34 Cu3 121.8(2) . . ?
Cu1 O34 Cu3 91.58(15) . . ?
P1 O34 Cu2 122.4(2) . . ?
Cu1 O34 Cu2 91.14(14) . . ?
Cu3 O34 Cu2 88.44(13) . . ?
Cu1 O35 Cu3 105.25(19) . . ?
Cu1 O35 Cu4 97.87(19) . . ?
Cu3 O35 Cu4 108.4(2) . . ?
Cu1 O35 H35 119(5) . . ?
Cu3 O35 H35 109(5) . . ?
Cu4 O35 H35 116(5) . . ?
Cu2 O36 Cu5 101.3(2) . . ?
Cu2 O36 Cu1 99.26(17) . . ?
Cu5 O36 Cu1 98.35(18) . . ?
Cu2 O36 H36 116(5) . . ?
Cu5 O36 H36 110(5) . . ?
Cu1 O36 H36 128(5) . . ?
Cu6 O37 Cu3 103.97(19) . . ?
Cu6 O37 Cu2 96.17(18) . . ?
Cu3 O37 Cu2 108.65(19) . . ?
Cu6 O37 H37 113(5) . . ?
Cu3 O37 H37 122(5) . . ?
Cu2 O37 H37 110(5) . . ?
C6 O38 Cu1 127.5(5) . . ?
C6 O39 Cu4 124.4(5) . . ?
C3' C1 C2 121(2) . . ?
C3' C1 H1 119.6 . . ?
C2 C1 H1 119.6 . . ?
C1 C2 C3 119.5(18) . . ?
C1 C2 C6 115.1(17) . . ?
C3 C2 C6 125.4(17) . . ?
C4 C3 C2 122(2) . . ?
C4 C3 C1' 118.8(17) . . ?
C2 C3 C1' 119.5(18) . . ?
C5 C4 C3 119.3(16) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
C4 C5 C5' 122.6(15) . . ?
C4 C5 H5 118.7 . . ?
C5' C5 H5 118.7 . . ?
C2' C1' C4' 122(2) . . ?
C2' C1' C3 118.8(17) . . ?
C4' C1' C3 119.5(19) . . ?
C3' C2' C1' 121(2) . . ?
C1 C3' C2' 120(2) . . ?
C1 C3' H3' 119.8 . . ?
C2' C3' H3' 119.8 . . ?
C5' C4' C1' 120.3(18) . . ?
C5' C4' H4' 119.9 . . ?
C1' C4' H4' 119.9 . . ?
C5 C5' C4' 119.1(16) . . ?
C5 C5' H5' 120.4 . . ?
C4' C5' H5' 120.4 . . ?
O39 C6 O38 126.5(7) . . ?
O39 C6 C2 118.7(11) . . ?
O38 C6 C2 114.1(11) . . ?
C8 N1 Cu4 107.3(6) . . ?
C8 N1 H1A 110.3 . . ?
Cu4 N1 H1A 110.3 . . ?
C8 N1 H1B 110.3 . . ?
Cu4 N1 H1B 110.3 . . ?
H1A N1 H1B 108.5 . . ?
C9 N2 Cu4 109.4(5) . . ?
C9 N2 H2A 109.8 . . ?
Cu4 N2 H2A 109.8 . . ?
C9 N2 H2B 109.8 . . ?
Cu4 N2 H2B 109.8 . . ?
H2A N2 H2B 108.2 . . ?
C8 C7 H7A 109.5 . . ?
C8 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C8 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C9 C8 C7 120.3(12) . . ?
C9 C8 N1 106.7(9) . . ?
C7 C8 N1 112.4(11) . . ?
C9 C8 H8 105.4 . . ?
C7 C8 H8 105.4 . . ?
N1 C8 H8 105.4 . . ?
N2 C9 C8 110.1(9) . . ?
N2 C9 H9A 109.6 . . ?
C8 C9 H9A 109.6 . . ?
N2 C9 H9B 109.6 . . ?
C8 C9 H9B 109.6 . . ?
H9A C9 H9B 108.2 . . ?
C11 N3 Cu5 107.9(6) . . ?
C11 N3 H3A 110.1 . . ?
Cu5 N3 H3A 110.1 . . ?
C11 N3 H3B 110.1 . . ?
Cu5 N3 H3B 110.1 . . ?
H3A N3 H3B 108.4 . . ?
C12 N4 Cu5 108.0(6) . . ?
C12 N4 H4A 110.1 . . ?
Cu5 N4 H4A 110.1 . . ?
C12 N4 H4B 110.1 . . ?
Cu5 N4 H4B 110.1 . . ?
H4A N4 H4B 108.4 . . ?
C11 C10 H10A 109.5 . . ?
C11 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C11 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N3 C11 C12 107.0(7) . . ?
N3 C11 C10 118.4(11) . . ?
C12 C11 C10 106.3(9) . . ?
N3 C11 H11 108.2 . . ?
C12 C11 H11 108.2 . . ?
C10 C11 H11 108.2 . . ?
C11 C12 N4 107.6(7) . . ?
C11 C12 H12A 110.2 . . ?
N4 C12 H12A 110.2 . . ?
C11 C12 H12B 110.2 . . ?
N4 C12 H12B 110.2 . . ?
H12A C12 H12B 108.5 . . ?
C11' N3' Cu5 108.0(6) . . ?
C11' N3' H3'A 110.1 . . ?
Cu5 N3' H3'A 110.1 . . ?
C11' N3' H3'B 110.1 . . ?
Cu5 N3' H3'B 110.1 . . ?
H3'A N3' H3'B 108.4 . . ?
C12' N4' Cu5 107.9(6) . . ?
C12' N4' H4'A 110.1 . . ?
Cu5 N4' H4'A 110.1 . . ?
C12' N4' H4'B 110.1 . . ?
Cu5 N4' H4'B 110.1 . . ?
H4'A N4' H4'B 108.4 . . ?
C11' C10' H10D 109.5 . . ?
C11' C10' H10E 109.5 . . ?
H10D C10' H10E 109.5 . . ?
C11' C10' H10F 109.5 . . ?
H10D C10' H10F 109.5 . . ?
H10E C10' H10F 109.5 . . ?
C12' C11' C10' 95.8(13) . . ?
C12' C11' N3' 107.6(7) . . ?
C10' C11' N3' 126.8(14) . . ?
C12' C11' H11' 108.3 . . ?
C10' C11' H11' 108.3 . . ?
N3' C11' H11' 108.3 . . ?
N4' C12' C11' 107.0(7) . . ?
N4' C12' H12C 110.3 . . ?
C11' C12' H12C 110.3 . . ?
N4' C12' H12D 110.3 . . ?
C11' C12' H12D 110.3 . . ?
H12C C12' H12D 108.6 . . ?
C14 N5 Cu6 108.8(6) . . ?
C14 N5 H5A 109.9 . . ?
Cu6 N5 H5A 109.9 . . ?
C14 N5 H5B 109.9 . . ?
Cu6 N5 H5B 109.9 . . ?
H5A N5 H5B 108.3 . . ?
C15 N6 Cu6 107.2(7) . . ?
C15 N6 H6A 110.3 . . ?
Cu6 N6 H6A 110.3 . . ?
C15 N6 H6B 110.3 . . ?
Cu6 N6 H6B 110.3 . . ?
H6A N6 H6B 108.5 . . ?
C14 C13 H13A 109.5 . . ?
C14 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C14 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C13 C14 C15 118.2(17) . . ?
C13 C14 N5 124.4(15) . . ?
C15 C14 N5 107.5(9) . . ?
C13 C14 H14 100.5 . . ?
C15 C14 H14 100.5 . . ?
N5 C14 H14 100.5 . . ?
N6 C15 C14 108.2(9) . . ?
N6 C15 H15A 110.1 . . ?
C14 C15 H15A 110.1 . . ?
N6 C15 H15B 110.1 . . ?
C14 C15 H15B 110.1 . . ?
H15A C15 H15B 108.4 . . ?
C14' N5' Cu6 107.2(7) . . ?
C14' N5' H5'A 110.3 . . ?
Cu6 N5' H5'A 110.3 . . ?
C14' N5' H5'B 110.3 . . ?
Cu6 N5' H5'B 110.3 . . ?
H5'A N5' H5'B 108.5 . . ?
C15' N6' Cu6 108.8(6) . . ?
C15' N6' H6'A 109.9 . . ?
Cu6 N6' H6'A 109.9 . . ?
C15' N6' H6'B 109.9 . . ?
Cu6 N6' H6'B 109.9 . . ?
H6'A N6' H6'B 108.3 . . ?
C14' C13' H13D 109.5 . . ?
C14' C13' H13E 109.5 . . ?
H13D C13' H13E 109.5 . . ?
C14' C13' H13F 109.5 . . ?
H13D C13' H13F 109.5 . . ?
H13E C13' H13F 109.5 . . ?
N5' C14' C13' 124.7(16) . . ?
N5' C14' C15' 108.2(9) . . ?
C13' C14' C15' 117.4(15) . . ?
N5' C14' H14' 100.4 . . ?
C13' C14' H14' 100.4 . . ?
C15' C14' H14' 100.4 . . ?
C14' C15' N6' 107.5(9) . . ?
C14' C15' H15C 110.2 . . ?
N6' C15' H15C 110.2 . . ?
C14' C15' H15D 110.2 . . ?
N6' C15' H15D 110.2 . . ?
H15C C15' H15D 108.5 . . ?
C17 C16 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C17 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N7 C17 C18 122(2) . . ?
N7 C17 C16 110(2) . . ?
C18 C17 C16 105.6(18) . . ?
N7 C17 H17 106.2 . . ?
C18 C17 H17 106.2 . . ?
C16 C17 H17 106.2 . . ?
N8 C18 C17 101.8(18) . . ?
N8 C18 H18A 111.4 . . ?
C17 C18 H18A 111.4 . . ?
N8 C18 H18B 111.4 . . ?
C17 C18 H18B 111.4 . . ?
H18A C18 H18B 109.3 . . ?
C17 N7 Cu7 105.0(15) . . ?
C17 N7 H7D 110.7 . . ?
Cu7 N7 H7D 110.7 . . ?
C17 N7 H7E 110.7 . . ?
Cu7 N7 H7E 110.7 . . ?
H7D N7 H7E 108.8 . . ?
C18 N8 Cu7 112.0(15) . . ?
C18 N8 H8A 109.2 . . ?
Cu7 N8 H8A 109.2 . . ?
C18 N8 H8B 109.2 . . ?
Cu7 N8 H8B 109.2 . . ?
H8A N8 H8B 107.9 . . ?
N7 Cu7 N8 87.5(9) . . ?
N7 Cu7 O19 102.3(9) . . ?
N8 Cu7 O19 97.6(5) . . ?
N7 Cu7 Cl1A 164.5(9) . . ?
N8 Cu7 Cl1A 93.1(6) . . ?
O19 Cu7 Cl1A 93.1(2) . . ?
N7 Cu7 O43 77.8(11) . . ?
N8 Cu7 O43 164.8(11) . . ?
O19 Cu7 O43 89.2(9) . . ?
Cl1A Cu7 O43 100.1(9) . . ?
O42 Cu7' O19 90.5(7) . . ?
O42 Cu7' O43A 128.3(9) . . ?
O19 Cu7' O43A 71.9(5) . . ?
Cl1 Na1 O19 85.9(6) . . ?
Cl1 Na1 O47 101.3(9) . . ?
O19 Na1 O47 61.9(5) . . ?
Cl1 Na1 O43B 97.5(11) . . ?
O19 Na1 O43B 102.4(7) . . ?
O47 Na1 O43B 154.3(10) . . ?

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
O6 W3 O2 W2 133.2(6) . . . . ?
O11 W3 O2 W2 -42.8(10) . . . . ?
O10 W3 O2 W2 -125.6(6) . . . . ?
O3 W3 O2 W2 31.7(6) . . . . ?
O33 W3 O2 W2 -53.3(6) . . . . ?
O4 W1 O7 W4 165.6(3) . . . . ?
O12 W1 O7 W4 63.9(3) . . . . ?
O1 W1 O7 W4 -91.6(3) . . . . ?
O3 W1 O7 W4 -21.9(7) . . . . ?
O31 W1 O7 W4 -6.9(2) . . . . ?
O5 W2 O8 W5 -168.0(3) . . . . ?
O9 W2 O8 W5 -65.4(3) . . . . ?
O1 W2 O8 W5 89.7(3) . . . . ?
O2 W2 O8 W5 19.9(7) . . . . ?
O32 W2 O8 W5 5.6(2) . . . . ?
O5 W2 O9 W6 166.7(3) . . . . ?
O8 W2 O9 W6 63.7(3) . . . . ?
O1 W2 O9 W6 -27.1(7) . . . . ?
O2 W2 O9 W6 -91.6(3) . . . . ?
O32 W2 O9 W6 -7.6(2) . . . . ?
O4 W1 O12 W9 -168.2(3) . . . . ?
O7 W1 O12 W9 -67.9(3) . . . . ?
O1 W1 O12 W9 16.8(7) . . . . ?
O3 W1 O12 W9 89.6(3) . . . . ?
O31 W1 O12 W9 4.2(3) . . . . ?
O19 W4 O18 W9 178.0(3) . . . . ?
O25 W4 O18 W9 -77.3(3) . . . . ?
O13 W4 O18 W9 16.0(6) . . . . ?
O7 W4 O18 W9 80.6(3) . . . . ?
O31 W4 O18 W9 8.1(2) . . . . ?
O25 W4 O19 Cu7 -71.5(10) . . . . ?
O18 W4 O19 Cu7 24.7(10) . . . . ?
O13 W4 O19 Cu7 -162.3(9) . . . . ?
O7 W4 O19 Cu7 110.9(9) . . . . ?
O31 W4 O19 Cu7 87.7(14) . . . . ?
O25 W4 O19 Cu7' -167.1(14) . . . . ?
O18 W4 O19 Cu7' -70.9(14) . . . . ?
O13 W4 O19 Cu7' 102.1(14) . . . . ?
O7 W4 O19 Cu7' 15.3(14) . . . . ?
O31 W4 O19 Cu7' -8(2) . . . . ?
O25 W4 O19 Na1 -34.1(10) . . . . ?
O18 W4 O19 Na1 62.2(9) . . . . ?
O13 W4 O19 Na1 -124.9(9) . . . . ?
O7 W4 O19 Na1 148.4(9) . . . . ?
O31 W4 O19 Na1 125.1(11) . . . . ?
O26 W5 O20 Cu5 147.6(3) . . . 2_656 ?
O13 W5 O20 Cu5 -113.4(3) . . . 2_656 ?
O14 W5 O20 Cu5 54.4(3) . . . 2_656 ?
O8 W5 O20 Cu5 -27.8(3) . . . 2_656 ?
O19 W4 O25 Cu4 -54.6(4) . . . . ?
O18 W4 O25 Cu4 -157.1(4) . . . . ?
O13 W4 O25 Cu4 45.9(4) . . . . ?
O7 W4 O25 Cu4 119.0(5) . . . . ?
O31 W4 O25 Cu4 129.2(4) . . . . ?
O19 W4 O25 Cu1 145.0(3) . . . . ?
O18 W4 O25 Cu1 42.6(3) . . . . ?
O13 W4 O25 Cu1 -114.5(3) . . . . ?
O7 W4 O25 Cu1 -41.4(7) . . . . ?
O31 W4 O25 Cu1 -31.1(3) . . . . ?
O20 W5 O26 Cu3 -146.1(3) . . . . ?
O13 W5 O26 Cu3 112.0(4) . . . . ?
O14 W5 O26 Cu3 -45.8(4) . . . . ?
O8 W5 O26 Cu3 22.4(7) . . . . ?
O32 W5 O26 Cu3 28.3(3) . . . . ?
O21 W6 O27 Cu3 150.4(4) . . . . ?
O14 W6 O27 Cu3 47.0(4) . . . . ?
O15 W6 O27 Cu3 -108.7(4) . . . . ?
O9 W6 O27 Cu3 -24.3(7) . . . . ?
O32 W6 O27 Cu3 -26.2(3) . . . . ?
O21 W6 O27 Cu6 -67.2(3) . . . . ?
O14 W6 O27 Cu6 -170.6(3) . . . . ?
O15 W6 O27 Cu6 33.7(3) . . . . ?
O9 W6 O27 Cu6 118.1(4) . . . . ?
O32 W6 O27 Cu6 116.2(2) . . . . ?
O22 W7 O28 Cu2 -141.5(3) . . . . ?
O15 W7 O28 Cu2 117.5(3) . . . . ?
O16 W7 O28 Cu2 -38.5(3) . . . . ?
O10 W7 O28 Cu2 34.3(7) . . . . ?
O33 W7 O28 Cu2 34.9(3) . . . . ?
O22 W7 O28 Cu6 59.6(3) . . . . ?
O15 W7 O28 Cu6 -41.3(3) . . . . ?
O16 W7 O28 Cu6 162.7(3) . . . . ?
O10 W7 O28 Cu6 -124.5(5) . . . . ?
O33 W7 O28 Cu6 -124.0(3) . . . . ?
O23 W8 O29 Cu2 142.8(3) . . . . ?
O16 W8 O29 Cu2 40.1(3) . . . . ?
O17 W8 O29 Cu2 -116.2(3) . . . . ?
O11 W8 O29 Cu2 -31.7(7) . . . . ?
O33 W8 O29 Cu2 -33.9(3) . . . . ?
O23 W8 O29 Cu5 -58.6(3) . . . . ?
O16 W8 O29 Cu5 -161.2(3) . . . . ?
O17 W8 O29 Cu5 42.4(3) . . . . ?
O11 W8 O29 Cu5 126.9(5) . . . . ?
O33 W8 O29 Cu5 124.7(3) . . . . ?
O24 W9 O30 Cu1 -150.1(4) . . . . ?
O17 W9 O30 Cu1 109.4(4) . . . . ?
O18 W9 O30 Cu1 -48.3(4) . . . . ?
O12 W9 O30 Cu1 22.8(8) . . . . ?
O31 W9 O30 Cu1 25.2(4) . . . . ?
O24 W9 O30 Cu5 65.9(3) . . . . ?
O17 W9 O30 Cu5 -34.7(3) . . . . ?
O18 W9 O30 Cu5 167.6(2) . . . . ?
O12 W9 O30 Cu5 -121.3(4) . . . . ?
O31 W9 O30 Cu5 -118.9(2) . . . . ?
O34 P1 O31 W9 -56.3(3) . . . . ?
O33 P1 O31 W9 64.3(3) . . . . ?
O32 P1 O31 W9 -178.1(2) . . . . ?
O34 P1 O31 W4 58.5(3) . . . . ?
O33 P1 O31 W4 179.1(2) . . . . ?
O32 P1 O31 W4 -63.3(3) . . . . ?
O34 P1 O31 W1 -177.9(2) . . . . ?
O33 P1 O31 W1 -57.3(3) . . . . ?
O32 P1 O31 W1 60.3(3) . . . . ?
O34 P1 O32 W5 -57.3(3) . . . . ?
O33 P1 O32 W5 -179.0(2) . . . . ?
O31 P1 O32 W5 63.2(3) . . . . ?
O34 P1 O32 W6 61.0(3) . . . . ?
O33 P1 O32 W6 -60.8(3) . . . . ?
O31 P1 O32 W6 -178.5(2) . . . . ?
O34 P1 O32 W2 -178.3(2) . . . . ?
O33 P1 O32 W2 59.9(3) . . . . ?
O31 P1 O32 W2 -57.9(3) . . . . ?
O34 P1 O33 W8 56.5(3) . . . . ?
O31 P1 O33 W8 -63.7(3) . . . . ?
O32 P1 O33 W8 179.1(2) . . . . ?
O34 P1 O33 W7 -62.3(3) . . . . ?
O31 P1 O33 W7 177.5(2) . . . . ?
O32 P1 O33 W7 60.4(3) . . . . ?
O34 P1 O33 W3 177.7(3) . . . . ?
O31 P1 O33 W3 57.5(3) . . . . ?
O32 P1 O33 W3 -59.6(3) . . . . ?
O33 P1 O34 Cu1 -118.9(3) . . . . ?
O31 P1 O34 Cu1 0.8(4) . . . . ?
O32 P1 O34 Cu1 120.3(3) . . . . ?
O33 P1 O34 Cu3 116.5(3) . . . . ?
O31 P1 O34 Cu3 -123.8(3) . . . . ?
O32 P1 O34 Cu3 -4.3(3) . . . . ?
O33 P1 O34 Cu2 5.7(3) . . . . ?
O31 P1 O34 Cu2 125.3(3) . . . . ?
O32 P1 O34 Cu2 -115.2(3) . . . . ?
C3' C1 C2 C3 3(4) . . . . ?
C3' C1 C2 C6 -176(3) . . . . ?
C1 C2 C3 C4 175(3) . . . . ?
C6 C2 C3 C4 -6(5) . . . . ?
C1 C2 C3 C1' 0(4) . . . . ?
C6 C2 C3 C1' 179(2) . . . . ?
C2 C3 C4 C5 -178(3) . . . . ?
C1' C3 C4 C5 -3(4) . . . . ?
C3 C4 C5 C5' 4(3) . . . . ?
C4 C3 C1' C2' -179(3) . . . . ?
C2 C3 C1' C2' -4(4) . . . . ?
C4 C3 C1' C4' 3(4) . . . . ?
C2 C3 C1' C4' 179(3) . . . . ?
C4' C1' C2' C3' -178(3) . . . . ?
C3 C1' C2' C3' 5(4) . . . . ?
C2 C1 C3' C2' -1(5) . . . . ?
C1' C2' C3' C1 -2(4) . . . . ?
C2' C1' C4' C5' 177(2) . . . . ?
C3 C1' C4' C5' -5(4) . . . . ?
C4 C5 C5' C4' -6(3) . . . . ?
C1' C4' C5' C5 7(3) . . . . ?
Cu4 O39 C6 O38 13.1(13) . . . . ?
Cu4 O39 C6 C2 -157.3(9) . . . . ?
Cu1 O38 C6 O39 -15.8(12) . . . . ?
Cu1 O38 C6 C2 154.9(9) . . . . ?
C1 C2 C6 O39 -57(2) . . . . ?
C3 C2 C6 O39 124(3) . . . . ?
C1 C2 C6 O38 131(2) . . . . ?
C3 C2 C6 O38 -48(3) . . . . ?
Cu4 N1 C8 C9 -40.8(12) . . . . ?
Cu4 N1 C8 C7 -174.7(12) . . . . ?
Cu4 N2 C9 C8 -36.3(13) . . . . ?
C7 C8 C9 N2 -179.6(14) . . . . ?
N1 C8 C9 N2 50.9(14) . . . . ?
Cu5 N3 C11 C12 42.2(8) . . . . ?
Cu5 N3 C11 C10 162.1(9) . . . . ?
N3 C11 C12 N4 -54.6(9) . . . . ?
C10 C11 C12 N4 178.0(8) . . . . ?
Cu5 N4 C12 C11 40.4(8) . . . . ?
Cu5 N3' C11' C12' 40.4(8) . . . . ?
Cu5 N3' C11' C10' 152.1(15) . . . . ?
Cu5 N4' C12' C11' 42.2(8) . . . . ?
C10' C11' C12' N4' 173.8(12) . . . . ?
N3' C11' C12' N4' -54.6(9) . . . . ?
Cu6 N5 C14 C13 -180(2) . . . . ?
Cu6 N5 C14 C15 35.4(13) . . . . ?
Cu6 N6 C15 C14 44.2(12) . . . . ?
C13 C14 C15 N6 159.9(16) . . . . ?
N5 C14 C15 N6 -52.7(15) . . . . ?
Cu6 N5' C14' C13' -171.1(16) . . . . ?
Cu6 N5' C14' C15' 44.2(12) . . . . ?
N5' C14' C15' N6' -52.7(15) . . . . ?
C13' C14' C15' N6' 159.6(16) . . . . ?
Cu6 N6' C15' C14' 35.4(13) . . . . ?
N7 C17 C18 N8 -40(3) . . . . ?
C16 C17 C18 N8 -166(3) . . . . ?
C18 C17 N7 Cu7 27(3) . . . . ?
C16 C17 N7 Cu7 152(2) . . . . ?
C17 C18 N8 Cu7 31(2) . . . . ?

_refine_diff_density_max         2.623
_refine_diff_density_min         -2.752
_refine_diff_density_rms         0.248




