# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2019

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

data_1
_database_code_depnum_ccdc_archive 'CCDC 1875777'
_audit_update_record             
;
2018-10-30 deposited with the CCDC.
2019-01-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C156 H108 Cu4.50 N18 Ni4.50 O92 P2 W18'
_chemical_formula_sum            'C156 H108 Cu4.50 N18 Ni4.50 O92 P2 W18'
_chemical_formula_weight         7627.74

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'
Ni Ni 0.3393 1.1124 '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'
P P 0.1023 0.0942 '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           trigonal
_symmetry_space_group_name_H-M   P6/m

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x-y, x, z'
'-y, x-y, z'
'-x, -y, z'
'-x+y, -x, z'
'y, -x+y, z'
'-x, -y, -z'
'-x+y, -x, -z'
'y, -x+y, -z'
'x, y, -z'
'x-y, x, -z'
'-y, x-y, -z'

_cell_length_a                   18.858(5)
_cell_length_b                   18.858(5)
_cell_length_c                   15.577(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     4797(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    1819
_cell_measurement_theta_min      2.16
_cell_measurement_theta_max      23.32

_exptl_crystal_description       Block
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.641
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3524.5
_exptl_absorpt_coefficient_mu    11.772
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.090
_exptl_absorpt_correction_T_max  0.192
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            29458
_diffrn_reflns_av_R_equivalents  0.1201
_diffrn_reflns_av_sigmaI/netI    0.0650
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.16
_diffrn_reflns_theta_max         27.36
_reflns_number_total             3782
_reflns_number_gt                2569
_reflns_threshold_expression     >2sigma(I)

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

_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. 
;

_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)+(0.0673P)²+199.3158P] 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         3761
_refine_ls_number_parameters     254
_refine_ls_number_restraints     25
_refine_ls_R_factor_all          0.1023
_refine_ls_R_factor_gt           0.0641
_refine_ls_wR_factor_ref         0.1826
_refine_ls_wR_factor_gt          0.1606
_refine_ls_goodness_of_fit_ref   0.988
_refine_ls_restrained_S_all      0.988
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
Cu1 Cu 0.5000 0.0000 0.5000 0.0247(6) Uani 0.50 4 d SP . 1
Ni1 Ni 0.5000 0.0000 0.5000 0.0247(6) Uani 0.50 4 d SP . 2
Ni2 Ni 0.47945(13) 0.19917(12) 0.5000 0.0320(5) Uani 0.50 2 d SP . 1
Cu2 Cu 0.47945(13) 0.19917(12) 0.5000 0.0320(5) Uani 0.50 2 d SP . 2
OW1 O 0.3587(9) 0.0903(8) 0.5000 0.060(5) Uani 1 2 d S . .
O12 O 0.7420(7) 0.1522(7) 0.5000 0.040(3) Uani 1 2 d S . .
O13 O 0.5488(7) 0.1362(7) 0.5000 0.042(3) Uani 1 2 d S . .
O11 O 0.6737(8) 0.2478(7) 0.5000 0.047(4) Uani 1 2 d S . .
O10 O 0.6194(6) 0.0417(6) 0.5000 0.028(3) Uani 1 2 d S . .
W1 W 0.00589(3) 0.18997(3) 0.12065(4) 0.03330(13) Uani 1 1 d . . .
W2 W -0.05721(6) 0.06268(6) 0.31669(7) 0.0409(3) Uani 0.50 1 d P . 1
O6 O -0.0955(11) 0.0997(12) 0.3940(13) 0.0024(7) Uani 0.25 1 d PU . 1
O8 O -0.05721(6) 0.06268(6) 0.31669(7) 0.0409(3) Uani 0.50 1 d P . 2
P1 P 0.0000 0.0000 0.1265(4) 0.0185(13) Uani 1 6 d SU . .
O5 O 0.0000 0.0000 0.2284(14) 0.030(5) Uani 1 6 d S . .
O4 O 0.0108(6) 0.2803(5) 0.1406(6) 0.049(2) Uani 1 1 d . . .
N2 N 0.5000 0.0000 0.3664(8) 0.026(3) Uani 1 2 d S . .
O3 O 0.0106(12) 0.1962(9) 0.0000 0.082(5) Uani 1 2 d S . .
O2 O 0.0061(6) 0.1554(6) 0.2374(7) 0.0030(10) Uani 0.50 1 d PU . .
N1 N 0.4821(6) 0.2019(6) 0.3685(8) 0.042(3) Uani 1 1 d . . .
C11 C 0.6249(9) 0.1708(9) 0.5000 0.026(3) Uani 1 2 d S . .
C10 C 0.6651(9) 0.1181(10) 0.5000 0.027(4) Uani 1 2 d S . .
C9 C 0.4156(7) 0.1863(8) 0.3215(10) 0.045(3) Uani 1 1 d . . .
H9A H 0.3679 0.1742 0.3509 0.054 Uiso 1 1 calc R . .
C8 C 0.5000 0.0000 0.1879(11) 0.032(4) Uani 1 2 d S . .
C7 C 0.5614(7) -0.0011(7) 0.3204(8) 0.035(3) Uani 1 1 d . . .
H7A H 0.6038 -0.0023 0.3497 0.042 Uiso 1 1 calc R . .
C6 C 0.5498(8) 0.2220(9) 0.3227(10) 0.048(4) Uani 1 1 d . . .
H6A H 0.5981 0.2377 0.3526 0.058 Uiso 1 1 calc R . .
C5 C 0.5000 0.0000 0.0894(11) 0.032(4) Uani 1 2 d S . .
C4 C 0.5529(8) 0.2211(8) 0.2344(9) 0.043(3) Uani 1 1 d . . .
H4A H 0.6004 0.2300 0.2067 0.051 Uiso 1 1 calc R . .
O1 O -0.1068(8) 0.1162(7) 0.1183(11) 0.121(6) Uani 1 1 d . . .
C3 C 0.5712(7) 0.0160(9) 0.0427(8) 0.046(4) Uani 1 1 d . . .
H3A H 0.6184 0.0266 0.0722 0.056 Uiso 1 1 calc R . .
C2 C 0.4137(8) 0.1871(10) 0.2352(10) 0.053(4) Uani 1 1 d . . .
H2A H 0.3655 0.1749 0.2068 0.063 Uiso 1 1 calc R . .
C1 C 0.5621(7) -0.0006(9) 0.2346(9) 0.044(3) Uani 1 1 d . . .
H1A H 0.6052 -0.0007 0.2057 0.053 Uiso 1 1 calc R . .
C15 C 0.4870(8) 0.2105(8) 0.0924(11) 0.049(4) Uani 1 1 d . . .
C14 C 0.4858(8) 0.2069(8) 0.1876(9) 0.043(3) Uani 1 1 d . . .
C13 C 0.5493(8) 0.2066(11) 0.0453(10) 0.063(5) Uani 1 1 d . . .
H13A H 0.5909 0.2040 0.0747 0.075 Uiso 1 1 calc R . .
O7 O 0.0416(8) -0.0461(8) 0.1039(11) 0.093(4) Uani 1 1 d U . .
C12 C 0.4255(9) 0.2136(12) 0.0434(10) 0.074(5) Uani 1 1 d . . .
H12A H 0.3833 0.2157 0.0721 0.088 Uiso 1 1 calc R . .
O9 O -0.0449(12) 0.0484(12) 0.3694(15) 0.0024(7) Uani 0.25 1 d PU . .


_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
Cu1 O10 1.979(10) 7_656 ?
Cu1 O10 1.979(10) . ?
Cu1 N2 2.082(13) 7_656 ?
Cu1 N2 2.082(13) . ?
Cu1 O13 2.255(12) . ?
Cu1 O13 2.255(12) 7_656 ?
Ni2 N1 2.048(12) 10_556 ?
Ni2 N1 2.048(12) . ?
Ni2 O12 2.094(12) 8_666 ?
Ni2 O11 2.158(14) 8_666 ?
Ni2 O13 2.160(14) . ?
Ni2 OW1 2.173(13) . ?
O12 C10 1.260(18) . ?
O12 Cu2 2.094(12) 3_655 ?
O12 Ni2 2.094(12) 3_655 ?
O13 C11 1.246(19) . ?
O11 C11 1.273(18) . ?
O11 Cu2 2.158(14) 3_655 ?
O11 Ni2 2.158(14) 3_655 ?
O10 C10 1.255(18) . ?
W1 O4 1.688(9) . ?
W1 O1 1.849(11) 6 ?
W1 O1 1.870(11) . ?
W1 O3 1.8823(12) . ?
W1 O2 1.932(11) . ?
W1 O7 2.408(14) 4 ?
W1 O7 2.413(13) 3 ?
W2 O9 0.93(2) . ?
W2 O6 1.72(2) . ?
W2 O9 1.95(2) 6 ?
W2 O2 1.957(11) 2 ?
W2 W2 1.9586(12) 6 ?
W2 W2 1.9586(12) 2 ?
W2 O9 1.967(19) 2 ?
W2 O2 1.981(10) . ?
W2 O5 2.393(12) . ?
O6 O9 1.71(3) . ?
P1 O7 1.476(14) 5 ?
P1 O7 1.476(14) 3 ?
P1 O7 1.476(14) 6 ?
P1 O7 1.476(14) . ?
P1 O7 1.476(14) 2 ?
P1 O7 1.476(14) 4 ?
P1 O5 1.59(2) . ?
O5 W2 2.393(12) 6 ?
O5 W2 2.393(12) 5 ?
O5 W2 2.393(12) 2 ?
O5 W2 2.393(12) 3 ?
O5 W2 2.393(12) 4 ?
N2 C7 1.372(14) 4_655 ?
N2 C7 1.372(14) . ?
O3 W1 1.8823(12) 10 ?
O2 W2 1.957(11) 6 ?
N1 C6 1.343(17) . ?
N1 C9 1.351(17) . ?
C11 C10 1.52(2) . ?
C9 C2 1.34(2) . ?
C9 H9A 0.9300 . ?
C8 C1 1.383(15) . ?
C8 C1 1.383(15) 4_655 ?
C8 C5 1.53(2) . ?
C7 C1 1.336(18) . ?
C7 H7A 0.9300 . ?
C6 C4 1.38(2) . ?
C6 H6A 0.9300 . ?
C5 C3 1.421(15) 4_655 ?
C5 C3 1.421(15) . ?
C4 C14 1.367(19) . ?
C4 H4A 0.9300 . ?
O1 W1 1.849(11) 2 ?
C3 C3 1.33(2) 10 ?
C3 H3A 0.9300 . ?
C2 C14 1.425(19) . ?
C2 H2A 0.9300 . ?
C1 H1A 0.9300 . ?
C15 C12 1.41(2) . ?
C15 C13 1.42(2) . ?
C15 C14 1.48(2) . ?
C13 C13 1.41(3) 10 ?
C13 H13A 0.9300 . ?
O7 O7 1.434(14) 2 ?
O7 O7 1.434(14) 6 ?
O7 W1 2.408(14) 4 ?
O7 W1 2.413(13) 5 ?
C12 C12 1.35(3) 10 ?
C12 H12A 0.9300 . ?
O9 O9 1.52(2) 6 ?
O9 O9 1.52(2) 2 ?
O9 W2 1.95(2) 2 ?
O9 W2 1.967(19) 6 ?

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 Cu1 O10 180.000(1) 7_656 . ?
O10 Cu1 N2 90.000(1) 7_656 7_656 ?
O10 Cu1 N2 90.000(1) . 7_656 ?
O10 Cu1 N2 90.000(1) 7_656 . ?
O10 Cu1 N2 90.000(1) . . ?
N2 Cu1 N2 180.000(1) 7_656 . ?
O10 Cu1 O13 100.8(5) 7_656 . ?
O10 Cu1 O13 79.2(5) . . ?
N2 Cu1 O13 90.000(2) 7_656 . ?
N2 Cu1 O13 90.000(2) . . ?
O10 Cu1 O13 79.2(5) 7_656 7_656 ?
O10 Cu1 O13 100.8(5) . 7_656 ?
N2 Cu1 O13 90.000(2) 7_656 7_656 ?
N2 Cu1 O13 90.000(2) . 7_656 ?
O13 Cu1 O13 180.0 . 7_656 ?
N1 Ni2 N1 177.2(6) 10_556 . ?
N1 Ni2 O12 90.0(3) 10_556 8_666 ?
N1 Ni2 O12 90.0(3) . 8_666 ?
N1 Ni2 O11 88.6(3) 10_556 8_666 ?
N1 Ni2 O11 88.6(3) . 8_666 ?
O12 Ni2 O11 78.5(5) 8_666 8_666 ?
N1 Ni2 O13 90.0(3) 10_556 . ?
N1 Ni2 O13 90.0(3) . . ?
O12 Ni2 O13 178.9(5) 8_666 . ?
O11 Ni2 O13 102.6(5) 8_666 . ?
N1 Ni2 OW1 91.4(3) 10_556 . ?
N1 Ni2 OW1 91.4(3) . . ?
O12 Ni2 OW1 82.2(5) 8_666 . ?
O11 Ni2 OW1 160.6(5) 8_666 . ?
O13 Ni2 OW1 96.7(5) . . ?
C10 O12 Cu2 113.5(11) . 3_655 ?
C10 O12 Ni2 113.5(11) . 3_655 ?
Cu2 O12 Ni2 0.00(11) 3_655 3_655 ?
C11 O13 Ni2 124.7(11) . . ?
C11 O13 Cu1 107.6(11) . . ?
Ni2 O13 Cu1 127.7(5) . . ?
C11 O11 Cu2 112.9(12) . 3_655 ?
C11 O11 Ni2 112.9(12) . 3_655 ?
Cu2 O11 Ni2 0.00(12) 3_655 3_655 ?
C10 O10 Cu1 116.6(11) . . ?
O4 W1 O1 100.3(6) . 6 ?
O4 W1 O1 102.9(6) . . ?
O1 W1 O1 156.8(10) 6 . ?
O4 W1 O3 98.3(6) . . ?
O1 W1 O3 87.0(8) 6 . ?
O1 W1 O3 91.6(8) . . ?
O4 W1 O2 99.1(5) . . ?
O1 W1 O2 86.6(5) 6 . ?
O1 W1 O2 87.8(5) . . ?
O3 W1 O2 162.3(6) . . ?
O4 W1 O7 163.4(5) . 4 ?
O1 W1 O7 95.7(6) 6 4 ?
O1 W1 O7 61.0(6) . 4 ?
O3 W1 O7 86.6(6) . 4 ?
O2 W1 O7 77.6(5) . 4 ?
O4 W1 O7 161.0(5) . 3 ?
O1 W1 O7 61.1(6) 6 3 ?
O1 W1 O7 95.6(6) . 3 ?
O3 W1 O7 85.3(6) . 3 ?
O2 W1 O7 77.2(5) . 3 ?
O7 W1 O7 34.6(5) 4 3 ?
O9 W2 O6 73.5(15) . . ?
O9 W2 O9 49.4(13) . 6 ?
O6 W2 O9 99.1(9) . 6 ?
O9 W2 O2 133.0(12) . 2 ?
O6 W2 O2 103.0(7) . 2 ?
O9 W2 O2 157.1(7) 6 2 ?
O9 W2 W2 76.8(12) . 6 ?
O6 W2 W2 112.3(6) . 6 ?
O9 W2 W2 27.5(7) 6 6 ?
O2 W2 W2 140.0(3) 2 6 ?
O9 W2 W2 76.1(12) . 2 ?
O6 W2 W2 109.5(6) . 2 ?
O9 W2 W2 106.2(6) 6 2 ?
O2 W2 W2 60.8(3) 2 2 ?
W2 W2 W2 120.0 6 2 ?
O9 W2 O9 48.7(13) . 2 ?
O6 W2 O9 97.3(9) . 2 ?
O9 W2 O9 84.5(13) 6 2 ?
O2 W2 O9 86.9(7) 2 2 ?
W2 W2 O9 106.1(7) 6 2 ?
W2 W2 O9 27.4(7) 2 2 ?
O9 W2 O2 132.8(12) . . ?
O6 W2 O2 105.5(7) . . ?
O9 W2 O2 85.8(7) 6 . ?
O2 W2 O2 93.8(4) 2 . ?
W2 W2 O2 59.6(3) 6 . ?
W2 W2 O2 140.3(3) 2 . ?
O9 W2 O2 156.3(7) 2 . ?
O9 W2 O5 97.1(14) . . ?
O6 W2 O5 170.5(8) . . ?
O9 W2 O5 75.1(7) 6 . ?
O2 W2 O5 82.2(4) 2 . ?
W2 W2 O5 65.84(13) 6 . ?
W2 W2 O5 65.84(13) 2 . ?
O9 W2 O5 74.9(7) 2 . ?
O2 W2 O5 81.7(4) . . ?
W2 O6 O9 31.4(9) . . ?
O7 P1 O7 114.5(6) 5 3 ?
O7 P1 O7 58.1(2) 5 6 ?
O7 P1 O7 152.4(15) 3 6 ?
O7 P1 O7 114.5(6) 5 . ?
O7 P1 O7 114.5(6) 3 . ?
O7 P1 O7 58.1(2) 6 . ?
O7 P1 O7 152.4(15) 5 2 ?
O7 P1 O7 58.1(2) 3 2 ?
O7 P1 O7 114.5(6) 6 2 ?
O7 P1 O7 58.1(2) . 2 ?
O7 P1 O7 58.1(2) 5 4 ?
O7 P1 O7 58.1(2) 3 4 ?
O7 P1 O7 114.5(6) 6 4 ?
O7 P1 O7 152.4(15) . 4 ?
O7 P1 O7 114.5(6) 2 4 ?
O7 P1 O5 103.8(7) 5 . ?
O7 P1 O5 103.8(7) 3 . ?
O7 P1 O5 103.8(7) 6 . ?
O7 P1 O5 103.8(7) . . ?
O7 P1 O5 103.8(7) 2 . ?
O7 P1 O5 103.8(7) 4 . ?
P1 O5 W2 125.1(4) . 6 ?
P1 O5 W2 125.1(4) . 5 ?
W2 O5 W2 48.3(3) 6 5 ?
P1 O5 W2 125.1(4) . 2 ?
W2 O5 W2 90.3(6) 6 2 ?
W2 O5 W2 109.9(8) 5 2 ?
P1 O5 W2 125.1(4) . . ?
W2 O5 W2 48.3(3) 6 . ?
W2 O5 W2 90.3(6) 5 . ?
W2 O5 W2 48.3(3) 2 . ?
P1 O5 W2 125.1(4) . 3 ?
W2 O5 W2 109.9(8) 6 3 ?
W2 O5 W2 90.3(6) 5 3 ?
W2 O5 W2 48.3(3) 2 3 ?
W2 O5 W2 90.3(6) . 3 ?
P1 O5 W2 125.1(4) . 4 ?
W2 O5 W2 90.3(6) 6 4 ?
W2 O5 W2 48.3(3) 5 4 ?
W2 O5 W2 90.3(6) 2 4 ?
W2 O5 W2 109.9(8) . 4 ?
W2 O5 W2 48.3(3) 3 4 ?
C7 N2 C7 117.0(14) 4_655 . ?
C7 N2 Cu1 121.5(7) 4_655 . ?
C7 N2 Cu1 121.5(7) . . ?
W1 O3 W1 173.6(10) 10 . ?
W1 O2 W2 143.4(6) . 6 ?
W1 O2 W2 141.5(5) . . ?
W2 O2 W2 59.7(3) 6 . ?
C6 N1 C9 114.9(13) . . ?
C6 N1 Ni2 123.1(9) . . ?
C9 N1 Ni2 121.9(9) . . ?
O13 C11 O11 125.7(16) . . ?
O13 C11 C10 118.6(13) . . ?
O11 C11 C10 115.7(14) . . ?
O10 C10 O12 122.7(16) . . ?
O10 C10 C11 118.0(13) . . ?
O12 C10 C11 119.3(14) . . ?
C2 C9 N1 124.5(13) . . ?
C2 C9 H9A 117.7 . . ?
N1 C9 H9A 117.7 . . ?
C1 C8 C1 116.6(16) . 4_655 ?
C1 C8 C5 121.7(8) . . ?
C1 C8 C5 121.7(8) 4_655 . ?
C1 C7 N2 121.8(12) . . ?
C1 C7 H7A 119.1 . . ?
N2 C7 H7A 119.1 . . ?
N1 C6 C4 124.7(13) . . ?
N1 C6 H6A 117.7 . . ?
C4 C6 H6A 117.7 . . ?
C3 C5 C3 118.4(16) 4_655 . ?
C3 C5 C8 120.8(8) 4_655 . ?
C3 C5 C8 120.8(8) . . ?
C14 C4 C6 119.5(13) . . ?
C14 C4 H4A 120.2 . . ?
C6 C4 H4A 120.2 . . ?
W1 O1 W1 143.1(9) 2 . ?
C3 C3 C5 120.8(8) 10 . ?
C3 C3 H3A 119.6 10 . ?
C5 C3 H3A 119.6 . . ?
C9 C2 C14 119.7(13) . . ?
C9 C2 H2A 120.1 . . ?
C14 C2 H2A 120.1 . . ?
C7 C1 C8 121.4(12) . . ?
C7 C1 H1A 119.3 . . ?
C8 C1 H1A 119.3 . . ?
C12 C15 C13 116.2(15) . . ?
C12 C15 C14 123.1(14) . . ?
C13 C15 C14 120.6(14) . . ?
C4 C14 C2 116.3(13) . . ?
C4 C14 C15 122.1(13) . . ?
C2 C14 C15 121.6(13) . . ?
C15 C13 C13 121.1(9) . 10 ?
C15 C13 H13A 119.4 . . ?
C13 C13 H13A 119.4 10 . ?
O7 O7 O7 120.000(5) 2 6 ?
O7 O7 P1 60.95(10) 2 . ?
O7 O7 P1 60.95(10) 6 . ?
O7 O7 W1 165.8(7) 2 4 ?
O7 O7 W1 72.9(8) 6 4 ?
P1 O7 W1 129.1(8) . 4 ?
O7 O7 W1 72.5(8) 2 5 ?
O7 O7 W1 166.2(7) 6 5 ?
P1 O7 W1 128.7(8) . 5 ?
W1 O7 W1 94.1(5) 4 5 ?
C12 C12 C15 122.6(9) 10 . ?
C12 C12 H12A 118.7 10 . ?
C15 C12 H12A 118.7 . . ?
W2 O9 O9 103.1(14) . 6 ?
W2 O9 O9 104.1(15) . 2 ?
O9 O9 O9 120.000(5) 6 2 ?
W2 O9 O6 75.0(15) . . ?
O9 O9 O6 120.2(14) 6 . ?
O9 O9 O6 118.2(14) 2 . ?
W2 O9 W2 76.5(13) . 2 ?
O9 O9 W2 127.8(7) 6 2 ?
O9 O9 W2 27.6(8) 2 2 ?
O6 O9 W2 110.3(12) . 2 ?
W2 O9 W2 75.8(12) . 6 ?
O9 O9 W2 27.3(8) 6 6 ?
O9 O9 W2 127.5(7) 2 6 ?
O6 O9 W2 112.5(12) . 6 ?
W2 O9 W2 119.7(11) 2 6 ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        27.36
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         2.860
_refine_diff_density_min         -1.845
_refine_diff_density_rms         0.292
