# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2014

 
data_compound1 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C24 H32 Cu5 N12 O44 P W12' 
_chemical_formula_weight          3747.35 
 
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' 
 'P'  'P'   0.1023   0.0942 
 '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' 
 
_symmetry_cell_setting            'Triclinic' 
_symmetry_space_group_name_H-M    'P-1' 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, -z' 
 
_cell_length_a                    11.8408(14) 
_cell_length_b                    12.4848(15) 
_cell_length_c                    12.5343(15) 
_cell_angle_alpha                 61.610(2) 
_cell_angle_beta                  71.862(2) 
_cell_angle_gamma                 70.647(2) 
_cell_volume                      1511.4(3) 
_cell_formula_units_Z             1 
_cell_measurement_temperature     296(2) 
_cell_measurement_reflns_used     4928 
_cell_measurement_theta_min       2.38 
_cell_measurement_theta_max       28.13 
 
_exptl_crystal_description        block 
_exptl_crystal_colour             brown 
_exptl_crystal_size_max           0.36 
_exptl_crystal_size_mid           0.32 
_exptl_crystal_size_min           0.26 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     4.108 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1652.0 
_exptl_absorpt_coefficient_mu     24.578 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.000 
_exptl_absorpt_correction_T_max   0.002 
_exptl_absorpt_process_details    '(SADABS; Sheldrick, 2003)' 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       296(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   '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             7819 
_diffrn_reflns_av_R_equivalents   0.0411 
_diffrn_reflns_av_unetI/netI     0.0720 
_diffrn_reflns_limit_h_min        -14 
_diffrn_reflns_limit_h_max        14 
_diffrn_reflns_limit_k_min        -8 
_diffrn_reflns_limit_k_max        14 
_diffrn_reflns_limit_l_min        -14 
_diffrn_reflns_limit_l_max        15 
_diffrn_reflns_theta_min          1.85 
_diffrn_reflns_theta_max          25.25 
_reflns_number_total              5472 
_reflns_number_gt                 4990 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        'Bruker SMART'  
_computing_cell_refinement        'Bruker SMART'  
_computing_data_reduction         'Bruker SMART'  
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'Bruker SMART'  
_computing_publication_material   'Bruker SMART'  
 
_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 0 50' was used to omit the weak reflection above 50 degree. The restraint commands 'isor'and ' eadp' were used to restrain the atoms with ADP problem or disorder over two positions. The restrained atoms are as follows: O15 O16 O22 O17 P1 O2 O20 C5 O5 O4 C9 O6 N6 N4 N1 O7 O8 O13 O18 O19 N5 C4 C6 C12 O10 O11 O14 C10 C11 O1 O9 O21 and C7. Command 'DELU' was used to atoms W1 and O7 with 'Hirshfeld errors'. The central atom P is disorderly surrounded by a cube of eight half-occupied oxygen atoms with isotropic refinements (O15 O16 O17 O22 and their symmetrical oxygen atoms). 
; 
 
_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)+(0.0745P)²+259.1577P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     constr
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          5416 
_refine_ls_number_parameters      440 
_refine_ls_number_restraints      175 
_refine_ls_R_factor_all           0.0868 
_refine_ls_R_factor_gt            0.0819 
_refine_ls_wR_factor_ref          0.2215 
_refine_ls_wR_factor_gt           0.2190 
_refine_ls_goodness_of_fit_ref    1.177 
_refine_ls_restrained_S_all       1.159 
_refine_ls_shift/su_max           0.001 
_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 
P1 P 0.5000 0.5000 0.5000 0.0114(18) Uani 1 2 d SU . . 
W1 W 0.69748(10) 0.44796(10) 0.69221(10) 0.0167(3) Uani 1 1 d U . . 
W2 W 0.76945(9) 0.62021(10) 0.36739(10) 0.0156(3) Uani 1 1 d . . . 
W3 W 0.57284(11) 0.66969(10) 0.17530(10) 0.0181(3) Uani 1 1 d . . . 
W4 W 0.75009(10) 0.36539(11) 0.32291(10) 0.0195(3) Uani 1 1 d . . . 
W5 W 0.67495(11) 0.19455(10) 0.64690(11) 0.0210(3) Uani 1 1 d . . . 
W6 W 0.47981(11) 0.24773(10) 0.45266(10) 0.0186(3) Uani 1 1 d . . . 
O1 O 0.686(3) 0.697(3) 0.231(3) 0.063(8) Uani 1 1 d U . . 
O1W O 1.027(2) 1.104(2) 0.192(2) 0.030(5) Uani 1 1 d . . . 
O2 O 0.790(3) 0.514(3) 0.533(3) 0.045(6) Uani 1 1 d U . . 
O2W O 1.055(2) 0.842(2) 0.190(2) 0.040(6) Uani 1 1 d . . . 
O3 O 0.816(3) 0.473(2) 0.340(2) 0.044(7) Uani 1 1 d . . . 
O4 O 0.608(2) 0.756(2) 0.0182(19) 0.025(5) Uani 1 1 d U . . 
O5 O 0.8978(19) 0.672(2) 0.302(2) 0.028(5) Uani 1 1 d U . . 
O6 O 0.7936(19) 0.421(2) 0.7825(19) 0.026(5) Uani 1 1 d U . . 
O7 O 0.744(2) 0.290(2) 0.680(2) 0.039(5) Uani 1 1 d U . . 
O8 O 0.7581(19) 0.0512(19) 0.7161(18) 0.021(4) Uani 1 1 d U . . 
O9 O 0.543(3) 0.208(3) 0.775(3) 0.052(7) Uani 1 1 d U . . 
O10 O 0.574(3) 0.156(3) 0.582(3) 0.053(7) Uani 1 1 d U . . 
O11 O 0.338(3) 0.263(3) 0.572(2) 0.044(6) Uani 1 1 d U . . 
O12 O 0.471(2) 0.1320(19) 0.4265(19) 0.027(5) Uani 1 1 d . . . 
O13 O 0.391(3) 0.387(3) 0.338(3) 0.045(6) Uani 1 1 d U . . 
O14 O 0.629(3) 0.289(3) 0.343(3) 0.053(7) Uani 1 1 d U . . 
O15 O 0.412(3) 0.448(3) 0.481(3) 0.002(3) Uiso 0.50 1 d P . . 
O16 O 0.449(3) 0.588(3) 0.384(3) 0.002(3) Uiso 0.50 1 d P . . 
O17 O 0.572(3) 0.380(3) 0.484(3) 0.002(3) Uiso 0.50 1 d P . . 
O22 O 0.602(3) 0.529(3) 0.389(3) 0.002(3) Uiso 0.50 1 d P . . 
O18 O 0.676(2) 0.512(2) 0.199(2) 0.042(6) Uani 1 1 d U . . 
O19 O 0.444(2) 0.605(2) 0.194(2) 0.041(6) Uani 1 1 d U . . 
O20 O 0.870(2) 0.303(2) 0.237(2) 0.027(5) Uani 1 1 d U . . 
O21 O 0.771(3) 0.249(3) 0.484(3) 0.047(6) Uani 1 1 d U . . 
Cu1 Cu 0.7532(4) 0.6124(5) 0.8630(4) 0.0399(11) Uani 1 1 d . . . 
Cu2 Cu 0.9214(4) 0.9717(4) 0.2653(4) 0.0361(10) Uani 1 1 d . . . 
Cu3 Cu 0.5000 1.0000 0.0000 0.0461(17) Uani 1 2 d S . . 
C1 C 0.760(3) 0.849(3) 0.638(3) 0.028(7) Uani 1 1 d . . . 
H1 H 0.6957 0.8857 0.6834 0.034 Uiso 1 1 calc R . . 
C2 C 0.801(4) 0.922(3) 0.517(3) 0.036(8) Uani 1 1 d . . . 
H2 H 0.7622 1.0053 0.4822 0.044 Uiso 1 1 calc R . . 
C3 C 0.945(3) 0.758(3) 0.496(3) 0.028(7) Uani 1 1 d . . . 
H3 H 1.0054 0.7221 0.4472 0.034 Uiso 1 1 calc R . . 
C4 C 0.905(3) 0.680(3) 0.626(3) 0.035(8) Uani 1 1 d U . . 
H4 H 0.9487 0.5986 0.6611 0.042 Uiso 1 1 calc R . . 
C5 C 0.984(3) 0.443(3) 0.939(3) 0.020(6) Uani 1 1 d U . . 
H5 H 0.9761 0.4038 0.8956 0.024 Uiso 1 1 calc R . . 
C6 C 0.915(3) 0.600(3) 1.010(3) 0.029(7) Uani 1 1 d U . . 
H6 H 0.8591 0.6707 1.0156 0.034 Uiso 1 1 calc R . . 
C7 C 0.608(3) 0.432(3) 1.032(3) 0.019(6) Uani 1 1 d U . . 
H7 H 0.6819 0.3814 1.0539 0.023 Uiso 1 1 calc R . . 
C8 C 0.496(2) 0.615(3) 0.913(3) 0.021(6) Uani 1 1 d . . . 
H8 H 0.4918 0.6953 0.8502 0.025 Uiso 1 1 calc R . . 
C9 C 0.673(4) 1.021(4) 0.228(4) 0.050(10) Uani 1 1 d U . . 
H9 H 0.6464 1.0307 0.3010 0.061 Uiso 1 1 calc R . . 
C10 C 0.586(4) 1.024(4) 0.169(4) 0.040(8) Uani 1 1 d U . . 
H10 H 0.5037 1.0408 0.2030 0.048 Uiso 1 1 calc R . . 
C11 C 0.739(4) 0.972(4) 0.021(4) 0.046(9) Uani 1 1 d U . . 
H11 H 0.7638 0.9487 -0.0439 0.055 Uiso 1 1 calc R . . 
C12 C 0.822(4) 0.977(4) 0.076(4) 0.054(10) Uani 1 1 d U . . 
H12 H 0.9037 0.9617 0.0409 0.064 Uiso 1 1 calc R . . 
N1 N 0.809(3) 0.724(3) 0.694(3) 0.030(6) Uani 1 1 d U . . 
N2 N 0.898(3) 0.872(2) 0.449(2) 0.028(6) Uani 1 1 d . . . 
N3 N 0.892(2) 0.544(2) 0.950(2) 0.021(5) Uani 1 1 d . . . 
N4 N 0.602(2) 0.550(2) 0.9461(19) 0.014(5) Uani 1 1 d U . . 
N5 N 0.789(3) 1.004(3) 0.181(2) 0.027(6) Uani 1 1 d U . . 
N6 N 0.617(2) 1.004(3) 0.069(3) 0.030(6) Uani 1 1 d U . . 
 
 
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
 
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
P1 O16 1.50(3) 2_666 ? 
P1 O16 1.50(3) . ? 
P1 O22 1.51(3) 2_666 ? 
P1 O22 1.51(3) . ? 
P1 O15 1.52(3) . ? 
P1 O15 1.52(3) 2_666 ? 
P1 O17 1.53(3) . ? 
P1 O17 1.53(3) 2_666 ? 
W1 O6 1.70(2) . ? 
W1 O13 1.88(3) 2_666 ? 
W1 O2 1.89(3) . ? 
W1 O19 1.90(3) 2_666 ? 
W1 O7 1.93(3) . ? 
W1 O15 2.46(3) 2_666 ? 
W1 O16 2.47(3) 2_666 ? 
W2 O5 1.66(2) . ? 
W2 O11 1.88(3) 2_666 ? 
W2 O2 1.90(3) . ? 
W2 O3 1.90(3) . ? 
W2 O1 1.92(3) . ? 
W2 O15 2.47(3) 2_666 ? 
W2 O22 2.49(3) . ? 
W3 O4 1.73(2) . ? 
W3 O19 1.87(3) . ? 
W3 O18 1.87(3) . ? 
W3 O1 1.88(3) . ? 
W3 O9 1.89(3) 2_666 ? 
W3 O22 2.46(3) . ? 
W3 O16 2.47(3) . ? 
W4 O20 1.70(2) . ? 
W4 O14 1.87(3) . ? 
W4 O3 1.88(2) . ? 
W4 O21 1.88(3) . ? 
W4 O18 1.90(3) . ? 
W4 O17 2.45(3) . ? 
W4 O22 2.50(3) . ? 
W5 O8 1.68(2) . ? 
W5 O9 1.89(3) . ? 
W5 O7 1.90(3) . ? 
W5 O10 1.91(3) . ? 
W5 O21 1.92(3) . ? 
W5 O17 2.49(3) . ? 
W6 O12 1.67(2) . ? 
W6 O13 1.89(3) . ? 
W6 O11 1.90(3) . ? 
W6 O14 1.92(3) . ? 
W6 O10 1.93(3) . ? 
W6 O17 2.48(3) . ? 
W6 O15 2.53(3) . ? 
O1W Cu2 2.09(2) . ? 
O2W Cu2 2.21(3) . ? 
O9 W3 1.89(3) 2_666 ? 
O11 W2 1.88(3) 2_666 ? 
O13 W1 1.88(3) 2_666 ? 
O15 O16 1.69(4) . ? 
O15 O22 1.74(4) 2_666 ? 
O15 O17 1.81(4) . ? 
O15 W1 2.46(3) 2_666 ? 
O15 W2 2.47(3) 2_666 ? 
O16 O22 1.71(4) . ? 
O16 O17 1.80(4) 2_666 ? 
O16 W1 2.47(3) 2_666 ? 
O17 O22 1.75(4) . ? 
O17 O16 1.80(4) 2_666 ? 
O22 O15 1.74(4) 2_666 ? 
O19 W1 1.90(3) 2_666 ? 
Cu1 N1 1.95(3) . ? 
Cu1 N4 1.97(2) . ? 
Cu1 N3 1.98(2) . ? 
Cu2 N5 1.98(3) . ? 
Cu2 N2 2.00(3) . ? 
Cu3 N6 1.87(3) . ? 
Cu3 N6 1.87(3) 2_675 ? 
C1 C2 1.37(5) . ? 
C1 N1 1.37(4) . ? 
C2 N2 1.37(5) . ? 
C3 N2 1.25(4) . ? 
C3 C4 1.46(5) . ? 
C4 N1 1.33(5) . ? 
C5 C6 1.36(4) 2_767 ? 
C5 N3 1.41(4) . ? 
C6 C5 1.36(4) 2_767 ? 
C6 N3 1.37(4) . ? 
C7 N4 1.34(4) . ? 
C7 C8 1.38(4) 2_667 ? 
C8 N4 1.31(4) . ? 
C8 C7 1.38(4) 2_667 ? 
C9 N5 1.31(5) . ? 
C9 C10 1.42(6) . ? 
C10 N6 1.31(5) . ? 
C11 N6 1.37(5) . ? 
C11 C12 1.39(6) . ? 
C12 N5 1.42(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 
O16 P1 O16 180.0(18) 2_666 . ? 
O16 P1 O22 69.3(16) 2_666 2_666 ? 
O16 P1 O22 110.7(16) . 2_666 ? 
O16 P1 O22 110.7(16) 2_666 . ? 
O16 P1 O22 69.3(16) . . ? 
O22 P1 O22 180.000(5) 2_666 . ? 
O16 P1 O15 111.8(16) 2_666 . ? 
O16 P1 O15 68.2(16) . . ? 
O22 P1 O15 70.0(16) 2_666 . ? 
O22 P1 O15 110.0(16) . . ? 
O16 P1 O15 68.2(16) 2_666 2_666 ? 
O16 P1 O15 111.8(16) . 2_666 ? 
O22 P1 O15 110.0(16) 2_666 2_666 ? 
O22 P1 O15 70.0(16) . 2_666 ? 
O15 P1 O15 180.0(18) . 2_666 ? 
O16 P1 O17 72.9(16) 2_666 . ? 
O16 P1 O17 107.1(16) . . ? 
O22 P1 O17 109.8(16) 2_666 . ? 
O22 P1 O17 70.2(16) . . ? 
O15 P1 O17 72.6(16) . . ? 
O15 P1 O17 107.4(16) 2_666 . ? 
O16 P1 O17 107.1(16) 2_666 2_666 ? 
O16 P1 O17 72.9(16) . 2_666 ? 
O22 P1 O17 70.2(16) 2_666 2_666 ? 
O22 P1 O17 109.8(16) . 2_666 ? 
O15 P1 O17 107.4(16) . 2_666 ? 
O15 P1 O17 72.6(16) 2_666 2_666 ? 
O17 P1 O17 180.000(5) . 2_666 ? 
O6 W1 O13 103.7(11) . 2_666 ? 
O6 W1 O2 101.8(11) . . ? 
O13 W1 O2 87.1(12) 2_666 . ? 
O6 W1 O19 104.2(11) . 2_666 ? 
O13 W1 O19 86.8(12) 2_666 2_666 ? 
O2 W1 O19 153.9(12) . 2_666 ? 
O6 W1 O7 100.1(11) . . ? 
O13 W1 O7 156.2(11) 2_666 . ? 
O2 W1 O7 88.1(11) . . ? 
O19 W1 O7 87.4(11) 2_666 . ? 
O6 W1 O15 160.1(10) . 2_666 ? 
O13 W1 O15 64.3(11) 2_666 2_666 ? 
O2 W1 O15 63.3(11) . 2_666 ? 
O19 W1 O15 91.3(11) 2_666 2_666 ? 
O7 W1 O15 92.8(10) . 2_666 ? 
O6 W1 O16 159.6(10) . 2_666 ? 
O13 W1 O16 91.3(11) 2_666 2_666 ? 
O2 W1 O16 92.5(11) . 2_666 ? 
O19 W1 O16 62.3(11) 2_666 2_666 ? 
O7 W1 O16 65.6(10) . 2_666 ? 
O15 W1 O16 40.2(10) 2_666 2_666 ? 
O5 W2 O11 104.8(11) . 2_666 ? 
O5 W2 O2 103.2(11) . . ? 
O11 W2 O2 86.8(12) 2_666 . ? 
O5 W2 O3 100.2(12) . . ? 
O11 W2 O3 154.9(12) 2_666 . ? 
O2 W2 O3 87.0(11) . . ? 
O5 W2 O1 101.9(13) . . ? 
O11 W2 O1 88.8(13) 2_666 . ? 
O2 W2 O1 154.8(13) . . ? 
O3 W2 O1 86.6(12) . . ? 
O5 W2 O15 161.9(11) . 2_666 ? 
O11 W2 O15 64.7(11) 2_666 2_666 ? 
O2 W2 O15 62.9(11) . 2_666 ? 
O3 W2 O15 90.9(12) . 2_666 ? 
O1 W2 O15 92.9(12) . 2_666 ? 
O5 W2 O22 156.9(11) . . ? 
O11 W2 O22 92.8(11) 2_666 . ? 
O2 W2 O22 92.5(11) . . ? 
O3 W2 O22 63.3(11) . . ? 
O1 W2 O22 63.0(12) . . ? 
O15 W2 O22 41.0(10) 2_666 . ? 
O4 W3 O19 104.1(11) . . ? 
O4 W3 O18 103.2(11) . . ? 
O19 W3 O18 88.6(12) . . ? 
O4 W3 O1 100.9(13) . . ? 
O19 W3 O1 155.0(13) . . ? 
O18 W3 O1 86.4(13) . . ? 
O4 W3 O9 101.0(11) . 2_666 ? 
O19 W3 O9 88.0(12) . 2_666 ? 
O18 W3 O9 155.6(12) . 2_666 ? 
O1 W3 O9 86.5(14) . 2_666 ? 
O4 W3 O22 159.6(10) . . ? 
O19 W3 O22 91.8(11) . . ? 
O18 W3 O22 63.9(11) . . ? 
O1 W3 O22 64.1(12) . . ? 
O9 W3 O22 92.1(11) 2_666 . ? 
O4 W3 O16 159.7(10) . . ? 
O19 W3 O16 62.7(11) . . ? 
O18 W3 O16 92.3(11) . . ? 
O1 W3 O16 93.0(12) . . ? 
O9 W3 O16 64.8(11) 2_666 . ? 
O22 W3 O16 40.7(10) . . ? 
O20 W4 O14 102.0(12) . . ? 
O20 W4 O3 102.0(12) . . ? 
O14 W4 O3 155.9(13) . . ? 
O20 W4 O21 101.6(11) . . ? 
O14 W4 O21 87.2(13) . . ? 
O3 W4 O21 89.0(11) . . ? 
O20 W4 O18 101.8(11) . . ? 
O14 W4 O18 88.7(12) . . ? 
O3 W4 O18 85.4(11) . . ? 
O21 W4 O18 156.6(12) . . ? 
O20 W4 O17 160.4(10) . . ? 
O14 W4 O17 64.3(12) . . ? 
O3 W4 O17 92.6(12) . . ? 
O21 W4 O17 65.3(11) . . ? 
O18 W4 O17 92.3(11) . . ? 
O20 W4 O22 158.2(10) . . ? 
O14 W4 O22 93.3(12) . . ? 
O3 W4 O22 63.3(11) . . ? 
O21 W4 O22 94.5(11) . . ? 
O18 W4 O22 62.7(11) . . ? 
O17 W4 O22 41.4(10) . . ? 
O8 W5 O9 102.6(11) . . ? 
O8 W5 O7 100.4(10) . . ? 
O9 W5 O7 87.4(12) . . ? 
O8 W5 O10 99.8(11) . . ? 
O9 W5 O10 89.3(13) . . ? 
O7 W5 O10 159.7(12) . . ? 
O8 W5 O21 101.1(11) . . ? 
O9 W5 O21 156.3(13) . . ? 
O7 W5 O21 87.9(11) . . ? 
O10 W5 O21 87.2(12) . . ? 
O8 W5 O17 159.0(10) . . ? 
O9 W5 O17 93.2(11) . . ? 
O7 W5 O17 93.9(10) . . ? 
O10 W5 O17 66.3(11) . . ? 
O21 W5 O17 64.0(11) . . ? 
O12 W6 O13 101.5(11) . . ? 
O12 W6 O11 103.2(11) . . ? 
O13 W6 O11 85.7(12) . . ? 
O12 W6 O14 100.9(12) . . ? 
O13 W6 O14 89.5(12) . . ? 
O11 W6 O14 155.8(12) . . ? 
O12 W6 O10 100.7(12) . . ? 
O13 W6 O10 157.8(12) . . ? 
O11 W6 O10 89.2(12) . . ? 
O14 W6 O10 86.4(13) . . ? 
O12 W6 O17 158.9(11) . . ? 
O13 W6 O17 92.5(11) . . ? 
O11 W6 O17 93.4(11) . . ? 
O14 W6 O17 63.1(11) . . ? 
O10 W6 O17 66.2(11) . . ? 
O12 W6 O15 158.7(10) . . ? 
O13 W6 O15 62.7(11) . . ? 
O11 W6 O15 63.3(11) . . ? 
O14 W6 O15 93.5(11) . . ? 
O10 W6 O15 95.7(11) . . ? 
O17 W6 O15 42.3(10) . . ? 
W3 O1 W2 140.1(19) . . ? 
W1 O2 W2 140.3(16) . . ? 
W4 O3 W2 141.6(16) . . ? 
W5 O7 W1 138.0(15) . . ? 
W5 O9 W3 140.3(17) . 2_666 ? 
W5 O10 W6 135.9(17) . . ? 
W2 O11 W6 140.8(15) 2_666 . ? 
W1 O13 W6 141.4(16) 2_666 . ? 
W4 O14 W6 139.7(17) . . ? 
P1 O15 O16 55.5(14) . . ? 
P1 O15 O22 54.9(14) . 2_666 ? 
O16 O15 O22 93(2) . 2_666 ? 
P1 O15 O17 54.1(14) . . ? 
O16 O15 O17 88(2) . . ? 
O22 O15 O17 89(2) 2_666 . ? 
P1 O15 W1 125.9(16) . 2_666 ? 
O16 O15 W1 70.4(14) . 2_666 ? 
O22 O15 W1 134.6(19) 2_666 2_666 ? 
O17 O15 W1 130.1(18) . 2_666 ? 
P1 O15 W2 125.0(16) . 2_666 ? 
O16 O15 W2 135.3(19) . 2_666 ? 
O22 O15 W2 70.1(14) 2_666 2_666 ? 
O17 O15 W2 130.3(18) . 2_666 ? 
W1 O15 W2 92.5(10) 2_666 2_666 ? 
P1 O15 W6 121.5(16) . . ? 
O16 O15 W6 128.9(19) . . ? 
O22 O15 W6 129.3(18) 2_666 . ? 
O17 O15 W6 67.5(13) . . ? 
W1 O15 W6 91.1(10) 2_666 . ? 
W2 O15 W6 90.9(10) 2_666 . ? 
P1 O16 O15 56.3(14) . . ? 
P1 O16 O22 55.6(14) . . ? 
O15 O16 O22 93(2) . . ? 
P1 O16 O17 54.3(14) . 2_666 ? 
O15 O16 O17 89(2) . 2_666 ? 
O22 O16 O17 90(2) . 2_666 ? 
P1 O16 W3 125.1(17) . . ? 
O15 O16 W3 134.3(19) . . ? 
O22 O16 W3 69.5(14) . . ? 
O17 O16 W3 130.9(18) 2_666 . ? 
P1 O16 W1 125.7(16) . 2_666 ? 
O15 O16 W1 69.4(14) . 2_666 ? 
O22 O16 W1 134.0(19) . 2_666 ? 
O17 O16 W1 130.0(18) 2_666 2_666 ? 
W3 O16 W1 92.0(10) . 2_666 ? 
P1 O17 O22 54.4(14) . . ? 
P1 O17 O16 52.8(13) . 2_666 ? 
O22 O17 O16 88.5(19) . 2_666 ? 
P1 O17 O15 53.3(14) . . ? 
O22 O17 O15 88(2) . . ? 
O16 O17 O15 87.7(19) 2_666 . ? 
P1 O17 W4 125.2(16) . . ? 
O22 O17 W4 70.8(14) . . ? 
O16 O17 W4 131.6(18) 2_666 . ? 
O15 O17 W4 132.8(18) . . ? 
P1 O17 W6 123.5(16) . . ? 
O22 O17 W6 131.8(18) . . ? 
O16 O17 W6 131.1(18) 2_666 . ? 
O15 O17 W6 70.2(14) . . ? 
W4 O17 W6 92.3(10) . . ? 
P1 O17 W5 123.0(16) . . ? 
O22 O17 W5 132.5(18) . . ? 
O16 O17 W5 70.2(14) 2_666 . ? 
O15 O17 W5 130.5(18) . . ? 
W4 O17 W5 91.9(10) . . ? 
W6 O17 W5 91.5(10) . . ? 
P1 O22 O16 55.1(14) . . ? 
P1 O22 O15 55.1(14) . 2_666 ? 
O16 O22 O15 93(2) . 2_666 ? 
P1 O22 O17 55.4(14) . . ? 
O16 O22 O17 90(2) . . ? 
O15 O22 O17 90(2) 2_666 . ? 
P1 O22 W3 125.0(17) . . ? 
O16 O22 W3 69.9(14) . . ? 
O15 O22 W3 134.0(19) 2_666 . ? 
O17 O22 W3 130.7(18) . . ? 
P1 O22 W2 123.9(16) . . ? 
O16 O22 W2 133.3(19) . . ? 
O15 O22 W2 68.8(14) 2_666 . ? 
O17 O22 W2 130.7(18) . . ? 
W3 O22 W2 92.1(10) . . ? 
P1 O22 W4 123.2(16) . . ? 
O16 O22 W4 130.5(18) . . ? 
O15 O22 W4 128.4(18) 2_666 . ? 
O17 O22 W4 67.8(14) . . ? 
W3 O22 W4 91.8(10) . . ? 
W2 O22 W4 91.3(10) . . ? 
W3 O18 W4 141.3(15) . . ? 
W3 O19 W1 141.7(15) . 2_666 ? 
W4 O21 W5 138.3(16) . . ? 
N1 Cu1 N4 132.7(10) . . ? 
N1 Cu1 N3 106.9(11) . . ? 
N4 Cu1 N3 120.0(9) . . ? 
N5 Cu2 N2 118.0(11) . . ? 
N5 Cu2 O1W 118.5(10) . . ? 
N2 Cu2 O1W 116.3(10) . . ? 
N5 Cu2 O2W 96.7(11) . . ? 
N2 Cu2 O2W 104.3(11) . . ? 
O1W Cu2 O2W 96.1(9) . . ? 
N6 Cu3 N6 180.000(2) . 2_675 ? 
C2 C1 N1 123(3) . . ? 
C1 C2 N2 120(3) . . ? 
N2 C3 C4 121(3) . . ? 
N1 C4 C3 121(3) . . ? 
C6 C5 N3 122(3) 2_767 . ? 
C5 C6 N3 123(3) 2_767 . ? 
N4 C7 C8 120(3) . 2_667 ? 
N4 C8 C7 122(3) . 2_667 ? 
N5 C9 C10 122(4) . . ? 
N6 C10 C9 123(4) . . ? 
N6 C11 C12 117(4) . . ? 
C11 C12 N5 124(4) . . ? 
C4 N1 C1 115(3) . . ? 
C4 N1 Cu1 119(2) . . ? 
C1 N1 Cu1 126(2) . . ? 
C3 N2 C2 119(3) . . ? 
C3 N2 Cu2 122(2) . . ? 
C2 N2 Cu2 116(2) . . ? 
C6 N3 C5 115(3) . . ? 
C6 N3 Cu1 124(2) . . ? 
C5 N3 Cu1 121(2) . . ? 
C8 N4 C7 118(2) . . ? 
C8 N4 Cu1 122(2) . . ? 
C7 N4 Cu1 119.5(19) . . ? 
C9 N5 C12 115(3) . . ? 
C9 N5 Cu2 125(3) . . ? 
C12 N5 Cu2 118(3) . . ? 
C10 N6 C11 119(3) . . ? 
C10 N6 Cu3 121(3) . . ? 
C11 N6 Cu3 119(3) . . ? 
 
_diffrn_measured_fraction_theta_max    0.990 
_diffrn_reflns_theta_full              25.25 
_diffrn_measured_fraction_theta_full   0.990 
_refine_diff_density_max    3.665 
_refine_diff_density_min   -3.604 
_refine_diff_density_rms    0.567 
