# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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 1421824'
_audit_update_record             
;
2015-09-01 deposited with the CCDC.
2015-11-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H70 Cl2 Cu2 N6 O8 P4'
_chemical_formula_weight         1469.20

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'
Cl Cl 0.1484 0.1585 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   13.8416(5)
_cell_length_b                   16.4056(5)
_cell_length_c                   16.1781(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 103.747(2)
_cell_angle_gamma                90.00
_cell_volume                     3568.5(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      1.74
_cell_measurement_theta_max      27.45

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.367
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1520
_exptl_absorpt_coefficient_mu    0.819
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.902
_exptl_absorpt_correction_T_max  0.940
_exptl_absorpt_process_details   'SADABS (Bruker, 2008)'

_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  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            24163
_diffrn_reflns_av_R_equivalents  0.1095
_diffrn_reflns_av_sigmaI/netI    0.1404
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.74
_diffrn_reflns_theta_max         27.45
_reflns_number_total             8105
_reflns_number_gt                3519
_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)+(0.0591P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8105
_refine_ls_number_parameters     424
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1772
_refine_ls_R_factor_gt           0.0633
_refine_ls_wR_factor_ref         0.1634
_refine_ls_wR_factor_gt          0.1245
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_restrained_S_all      0.985
_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 0.50931(4) 0.20015(3) 0.34183(4) 0.0423(2) Uani 1 1 d . . .
P1 P 0.59591(9) 0.20932(7) 0.47850(8) 0.0405(3) Uani 1 1 d . . .
P2 P 0.54140(10) 0.08954(7) 0.27085(8) 0.0403(3) Uani 1 1 d . . .
N1 N 0.5414(3) 0.3040(2) 0.2731(2) 0.0504(11) Uani 1 1 d . . .
N2 N 0.3739(3) 0.2590(3) 0.3134(3) 0.0543(11) Uani 1 1 d . . .
N3 N 0.2886(3) 0.2553(3) 0.3382(3) 0.0691(14) Uani 1 1 d . . .
H3B H 0.2707 0.2153 0.3655 0.083 Uiso 1 1 calc R . .
C1 C 0.6244(5) 0.3221(3) 0.2493(3) 0.0654(16) Uani 1 1 d . . .
H1B H 0.6799 0.2893 0.2691 0.078 Uiso 1 1 calc R . .
C2 C 0.6332(6) 0.3858(4) 0.1976(4) 0.086(2) Uani 1 1 d . . .
H2A H 0.6933 0.3968 0.1836 0.103 Uiso 1 1 calc R . .
C3 C 0.5516(7) 0.4331(4) 0.1669(4) 0.093(2) Uani 1 1 d . . .
H3C H 0.5548 0.4758 0.1299 0.112 Uiso 1 1 calc R . .
C4 C 0.4653(6) 0.4177(4) 0.1905(4) 0.081(2) Uani 1 1 d . . .
H4B H 0.4100 0.4509 0.1716 0.097 Uiso 1 1 calc R . .
C5 C 0.4610(5) 0.3509(3) 0.2438(3) 0.0545(14) Uani 1 1 d . . .
C6 C 0.3738(4) 0.3305(3) 0.2732(3) 0.0566(15) Uani 1 1 d . . .
C7 C 0.2868(5) 0.3727(4) 0.2727(4) 0.083(2) Uani 1 1 d . . .
H7A H 0.2686 0.4238 0.2491 0.100 Uiso 1 1 calc R . .
C8 C 0.2338(5) 0.3243(5) 0.3137(5) 0.091(2) Uani 1 1 d . . .
H8A H 0.1717 0.3359 0.3235 0.110 Uiso 1 1 calc R . .
C9 C 0.6000(3) 0.1219(3) 0.5486(3) 0.0441(12) Uani 1 1 d . . .
H9A H 0.6180 0.0742 0.5202 0.053 Uiso 1 1 calc R . .
H9B H 0.6525 0.1309 0.5994 0.053 Uiso 1 1 calc R . .
C10 C 0.5733(3) -0.0030(3) 0.3358(3) 0.0450(12) Uani 1 1 d . . .
H10A H 0.5932 -0.0460 0.3023 0.054 Uiso 1 1 calc R . .
H10B H 0.6281 0.0081 0.3843 0.054 Uiso 1 1 calc R . .
C11 C 0.4821(4) -0.0292(3) 0.3662(3) 0.0491(13) Uani 1 1 d . . .
H11A H 0.4288 -0.0406 0.3167 0.059 Uiso 1 1 calc R . .
H11B H 0.4610 0.0162 0.3960 0.059 Uiso 1 1 calc R . .
C12 C 0.4958(4) -0.1034(3) 0.4244(3) 0.0473(13) Uani 1 1 d . . .
H12A H 0.5144 -0.1501 0.3948 0.057 Uiso 1 1 calc R . .
H12B H 0.5489 -0.0932 0.4744 0.057 Uiso 1 1 calc R . .
C16 C 0.7269(4) 0.2260(3) 0.4793(3) 0.0457(13) Uani 1 1 d . . .
C17 C 0.7570(4) 0.3010(3) 0.4566(4) 0.0684(17) Uani 1 1 d . . .
H17A H 0.7118 0.3438 0.4461 0.082 Uiso 1 1 calc R . .
C18 C 0.8532(5) 0.3136(4) 0.4492(5) 0.092(2) Uani 1 1 d . . .
H18A H 0.8726 0.3648 0.4344 0.110 Uiso 1 1 calc R . .
C19 C 0.9191(5) 0.2513(6) 0.4635(4) 0.088(2) Uani 1 1 d . . .
H19A H 0.9836 0.2601 0.4577 0.106 Uiso 1 1 calc R . .
C20 C 0.8933(5) 0.1764(5) 0.4863(4) 0.086(2) Uani 1 1 d . . .
H20A H 0.9395 0.1343 0.4967 0.103 Uiso 1 1 calc R . .
C21 C 0.7961(4) 0.1636(4) 0.4937(4) 0.0707(17) Uani 1 1 d . . .
H21A H 0.7775 0.1122 0.5086 0.085 Uiso 1 1 calc R . .
C22 C 0.5692(3) 0.2943(3) 0.5433(3) 0.0414(12) Uani 1 1 d . . .
C23 C 0.6161(4) 0.3027(3) 0.6281(3) 0.0578(14) Uani 1 1 d . . .
H23A H 0.6638 0.2647 0.6536 0.069 Uiso 1 1 calc R . .
C24 C 0.5935(5) 0.3665(4) 0.6757(4) 0.0715(18) Uani 1 1 d . . .
H24A H 0.6259 0.3715 0.7329 0.086 Uiso 1 1 calc R . .
C25 C 0.5236(5) 0.4223(4) 0.6387(4) 0.0712(18) Uani 1 1 d . . .
H25A H 0.5082 0.4653 0.6708 0.085 Uiso 1 1 calc R . .
C26 C 0.4763(4) 0.4153(4) 0.5552(4) 0.0696(17) Uani 1 1 d . . .
H26A H 0.4294 0.4539 0.5299 0.084 Uiso 1 1 calc R . .
C27 C 0.4979(4) 0.3508(3) 0.5081(3) 0.0540(14) Uani 1 1 d . . .
H27A H 0.4637 0.3454 0.4515 0.065 Uiso 1 1 calc R . .
C28 C 0.4526(4) 0.0483(3) 0.1791(3) 0.0423(12) Uani 1 1 d . . .
C29 C 0.4814(4) -0.0087(3) 0.1261(3) 0.0555(14) Uani 1 1 d . . .
H29A H 0.5479 -0.0239 0.1358 0.067 Uiso 1 1 calc R . .
C30 C 0.4130(5) -0.0428(3) 0.0594(4) 0.0648(16) Uani 1 1 d . . .
H30A H 0.4333 -0.0815 0.0250 0.078 Uiso 1 1 calc R . .
C31 C 0.3147(5) -0.0202(3) 0.0434(3) 0.0623(16) Uani 1 1 d . . .
H31A H 0.2688 -0.0427 -0.0024 0.075 Uiso 1 1 calc R . .
C32 C 0.2850(4) 0.0349(3) 0.0945(4) 0.0658(16) Uani 1 1 d . . .
H32A H 0.2184 0.0497 0.0845 0.079 Uiso 1 1 calc R . .
C33 C 0.3545(4) 0.0696(3) 0.1623(3) 0.0557(14) Uani 1 1 d . . .
H33A H 0.3336 0.1079 0.1967 0.067 Uiso 1 1 calc R . .
C34 C 0.6486(4) 0.1132(3) 0.2271(3) 0.0450(13) Uani 1 1 d . . .
C35 C 0.6329(4) 0.1559(3) 0.1514(3) 0.0549(14) Uani 1 1 d . . .
H35A H 0.5683 0.1645 0.1197 0.066 Uiso 1 1 calc R . .
C36 C 0.7118(5) 0.1861(3) 0.1221(4) 0.0678(17) Uani 1 1 d . . .
H36A H 0.7003 0.2137 0.0705 0.081 Uiso 1 1 calc R . .
C37 C 0.8075(6) 0.1750(4) 0.1699(5) 0.080(2) Uani 1 1 d . . .
H37A H 0.8608 0.1962 0.1510 0.096 Uiso 1 1 calc R . .
C38 C 0.8242(4) 0.1329(4) 0.2450(5) 0.086(2) Uani 1 1 d . . .
H38A H 0.8889 0.1248 0.2769 0.103 Uiso 1 1 calc R . .
C39 C 0.7442(4) 0.1024(3) 0.2732(4) 0.0670(17) Uani 1 1 d . . .
H39A H 0.7558 0.0741 0.3245 0.080 Uiso 1 1 calc R . .
Cl1 Cl 0.18893(13) 0.09594(11) 0.45155(11) 0.0740(5) Uani 1 1 d . . .
O1 O 0.2416(4) 0.0655(4) 0.3944(4) 0.138(2) Uani 1 1 d . . .
O2 O 0.1925(8) 0.0462(5) 0.5143(5) 0.253(5) Uani 1 1 d . . .
O3 O 0.2214(9) 0.1663(5) 0.4789(7) 0.305(7) Uani 1 1 d . . .
O4 O 0.0941(5) 0.1034(7) 0.4130(6) 0.250(5) 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
Cu1 N2 2.061(4) . ?
Cu1 N1 2.139(4) . ?
Cu1 P2 2.2474(13) . ?
Cu1 P1 2.2559(14) . ?
P1 C9 1.821(5) . ?
P1 C16 1.831(5) . ?
P1 C22 1.833(5) . ?
P2 C28 1.817(5) . ?
P2 C34 1.830(5) . ?
P2 C10 1.839(5) . ?
N1 C1 1.329(6) . ?
N1 C5 1.343(6) . ?
N2 N3 1.335(5) . ?
N2 C6 1.341(6) . ?
N3 C8 1.368(8) . ?
N3 H3B 0.8600 . ?
C1 C2 1.362(7) . ?
C1 H1B 0.9300 . ?
C2 C3 1.364(9) . ?
C2 H2A 0.9300 . ?
C3 C4 1.361(9) . ?
C3 H3C 0.9300 . ?
C4 C5 1.404(8) . ?
C4 H4B 0.9300 . ?
C5 C6 1.439(7) . ?
C6 C7 1.387(8) . ?
C7 C8 1.357(9) . ?
C7 H7A 0.9300 . ?
C8 H8A 0.9300 . ?
C9 C12 1.522(6) 3_656 ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.521(6) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.523(6) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C9 1.522(6) 3_656 ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C16 C17 1.376(7) . ?
C16 C21 1.383(7) . ?
C17 C18 1.381(7) . ?
C17 H17A 0.9300 . ?
C18 C19 1.353(9) . ?
C18 H18A 0.9300 . ?
C19 C20 1.355(9) . ?
C19 H19A 0.9300 . ?
C20 C21 1.394(8) . ?
C20 H20A 0.9300 . ?
C21 H21A 0.9300 . ?
C22 C27 1.375(7) . ?
C22 C23 1.378(6) . ?
C23 C24 1.380(7) . ?
C23 H23A 0.9300 . ?
C24 C25 1.363(8) . ?
C24 H24A 0.9300 . ?
C25 C26 1.359(8) . ?
C25 H25A 0.9300 . ?
C26 C27 1.378(7) . ?
C26 H26A 0.9300 . ?
C27 H27A 0.9300 . ?
C28 C33 1.365(6) . ?
C28 C29 1.390(6) . ?
C29 C30 1.374(7) . ?
C29 H29A 0.9300 . ?
C30 C31 1.373(7) . ?
C30 H30A 0.9300 . ?
C31 C32 1.354(7) . ?
C31 H31A 0.9300 . ?
C32 C33 1.397(7) . ?
C32 H32A 0.9300 . ?
C33 H33A 0.9300 . ?
C34 C39 1.368(7) . ?
C34 C35 1.383(6) . ?
C35 C36 1.380(7) . ?
C35 H35A 0.9300 . ?
C36 C37 1.378(8) . ?
C36 H36A 0.9300 . ?
C37 C38 1.370(8) . ?
C37 H37A 0.9300 . ?
C38 C39 1.388(7) . ?
C38 H38A 0.9300 . ?
C39 H39A 0.9300 . ?
Cl1 O3 1.279(6) . ?
Cl1 O2 1.294(6) . ?
Cl1 O4 1.318(7) . ?
Cl1 O1 1.398(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
N2 Cu1 N1 78.54(18) . . ?
N2 Cu1 P2 122.93(12) . . ?
N1 Cu1 P2 106.67(11) . . ?
N2 Cu1 P1 115.53(12) . . ?
N1 Cu1 P1 109.20(12) . . ?
P2 Cu1 P1 115.54(5) . . ?
C9 P1 C16 103.2(2) . . ?
C9 P1 C22 102.9(2) . . ?
C16 P1 C22 102.5(2) . . ?
C9 P1 Cu1 119.25(16) . . ?
C16 P1 Cu1 108.16(16) . . ?
C22 P1 Cu1 118.59(17) . . ?
C28 P2 C34 102.5(2) . . ?
C28 P2 C10 100.6(2) . . ?
C34 P2 C10 106.8(2) . . ?
C28 P2 Cu1 122.68(16) . . ?
C34 P2 Cu1 107.63(16) . . ?
C10 P2 Cu1 115.08(16) . . ?
C1 N1 C5 118.1(5) . . ?
C1 N1 Cu1 129.0(4) . . ?
C5 N1 Cu1 112.5(3) . . ?
N3 N2 C6 106.6(5) . . ?
N3 N2 Cu1 137.2(4) . . ?
C6 N2 Cu1 114.5(4) . . ?
N2 N3 C8 110.2(5) . . ?
N2 N3 H3B 124.9 . . ?
C8 N3 H3B 124.9 . . ?
N1 C1 C2 124.0(6) . . ?
N1 C1 H1B 118.0 . . ?
C2 C1 H1B 118.0 . . ?
C1 C2 C3 118.2(7) . . ?
C1 C2 H2A 120.9 . . ?
C3 C2 H2A 120.9 . . ?
C4 C3 C2 119.9(7) . . ?
C4 C3 H3C 120.1 . . ?
C2 C3 H3C 120.1 . . ?
C3 C4 C5 119.1(7) . . ?
C3 C4 H4B 120.5 . . ?
C5 C4 H4B 120.5 . . ?
N1 C5 C4 120.7(6) . . ?
N1 C5 C6 116.1(5) . . ?
C4 C5 C6 123.1(6) . . ?
N2 C6 C7 109.9(6) . . ?
N2 C6 C5 117.4(5) . . ?
C7 C6 C5 132.6(6) . . ?
C8 C7 C6 105.9(6) . . ?
C8 C7 H7A 127.0 . . ?
C6 C7 H7A 127.0 . . ?
C7 C8 N3 107.4(6) . . ?
C7 C8 H8A 126.3 . . ?
N3 C8 H8A 126.3 . . ?
C12 C9 P1 115.8(3) 3_656 . ?
C12 C9 H9A 108.3 3_656 . ?
P1 C9 H9A 108.3 . . ?
C12 C9 H9B 108.3 3_656 . ?
P1 C9 H9B 108.3 . . ?
H9A C9 H9B 107.4 . . ?
C11 C10 P2 108.3(3) . . ?
C11 C10 H10A 110.0 . . ?
P2 C10 H10A 110.0 . . ?
C11 C10 H10B 110.0 . . ?
P2 C10 H10B 110.0 . . ?
H10A C10 H10B 108.4 . . ?
C10 C11 C12 115.8(4) . . ?
C10 C11 H11A 108.3 . . ?
C12 C11 H11A 108.3 . . ?
C10 C11 H11B 108.3 . . ?
C12 C11 H11B 108.3 . . ?
H11A C11 H11B 107.4 . . ?
C9 C12 C11 110.3(4) 3_656 . ?
C9 C12 H12A 109.6 3_656 . ?
C11 C12 H12A 109.6 . . ?
C9 C12 H12B 109.6 3_656 . ?
C11 C12 H12B 109.6 . . ?
H12A C12 H12B 108.1 . . ?
C17 C16 C21 117.7(5) . . ?
C17 C16 P1 119.6(4) . . ?
C21 C16 P1 122.4(4) . . ?
C16 C17 C18 121.1(6) . . ?
C16 C17 H17A 119.4 . . ?
C18 C17 H17A 119.4 . . ?
C19 C18 C17 119.8(6) . . ?
C19 C18 H18A 120.1 . . ?
C17 C18 H18A 120.1 . . ?
C18 C19 C20 121.4(6) . . ?
C18 C19 H19A 119.3 . . ?
C20 C19 H19A 119.3 . . ?
C19 C20 C21 118.9(6) . . ?
C19 C20 H20A 120.6 . . ?
C21 C20 H20A 120.6 . . ?
C16 C21 C20 121.2(6) . . ?
C16 C21 H21A 119.4 . . ?
C20 C21 H21A 119.4 . . ?
C27 C22 C23 117.9(5) . . ?
C27 C22 P1 119.9(4) . . ?
C23 C22 P1 122.2(4) . . ?
C22 C23 C24 121.1(6) . . ?
C22 C23 H23A 119.5 . . ?
C24 C23 H23A 119.5 . . ?
C25 C24 C23 119.7(6) . . ?
C25 C24 H24A 120.1 . . ?
C23 C24 H24A 120.1 . . ?
C26 C25 C24 120.2(6) . . ?
C26 C25 H25A 119.9 . . ?
C24 C25 H25A 119.9 . . ?
C25 C26 C27 119.9(6) . . ?
C25 C26 H26A 120.0 . . ?
C27 C26 H26A 120.0 . . ?
C22 C27 C26 121.1(5) . . ?
C22 C27 H27A 119.4 . . ?
C26 C27 H27A 119.4 . . ?
C33 C28 C29 117.8(5) . . ?
C33 C28 P2 121.0(4) . . ?
C29 C28 P2 121.1(4) . . ?
C30 C29 C28 120.9(5) . . ?
C30 C29 H29A 119.6 . . ?
C28 C29 H29A 119.6 . . ?
C31 C30 C29 120.3(5) . . ?
C31 C30 H30A 119.8 . . ?
C29 C30 H30A 119.8 . . ?
C32 C31 C30 119.7(5) . . ?
C32 C31 H31A 120.1 . . ?
C30 C31 H31A 120.1 . . ?
C31 C32 C33 119.9(5) . . ?
C31 C32 H32A 120.0 . . ?
C33 C32 H32A 120.0 . . ?
C28 C33 C32 121.3(5) . . ?
C28 C33 H33A 119.4 . . ?
C32 C33 H33A 119.4 . . ?
C39 C34 C35 118.5(5) . . ?
C39 C34 P2 122.0(4) . . ?
C35 C34 P2 118.6(4) . . ?
C36 C35 C34 121.0(5) . . ?
C36 C35 H35A 119.5 . . ?
C34 C35 H35A 119.5 . . ?
C37 C36 C35 119.6(6) . . ?
C37 C36 H36A 120.2 . . ?
C35 C36 H36A 120.2 . . ?
C38 C37 C36 120.1(6) . . ?
C38 C37 H37A 120.0 . . ?
C36 C37 H37A 120.0 . . ?
C37 C38 C39 119.6(6) . . ?
C37 C38 H38A 120.2 . . ?
C39 C38 H38A 120.2 . . ?
C34 C39 C38 121.2(6) . . ?
C34 C39 H39A 119.4 . . ?
C38 C39 H39A 119.4 . . ?
O3 Cl1 O2 110.7(7) . . ?
O3 Cl1 O4 108.0(7) . . ?
O2 Cl1 O4 106.1(7) . . ?
O3 Cl1 O1 110.8(5) . . ?
O2 Cl1 O1 111.4(4) . . ?
O4 Cl1 O1 109.7(5) . . ?

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
N2 Cu1 P1 C9 103.9(2) . . . . ?
N1 Cu1 P1 C9 -169.9(2) . . . . ?
P2 Cu1 P1 C9 -49.70(19) . . . . ?
N2 Cu1 P1 C16 -138.7(2) . . . . ?
N1 Cu1 P1 C16 -52.5(2) . . . . ?
P2 Cu1 P1 C16 67.66(19) . . . . ?
N2 Cu1 P1 C22 -22.7(2) . . . . ?
N1 Cu1 P1 C22 63.4(2) . . . . ?
P2 Cu1 P1 C22 -176.37(16) . . . . ?
N2 Cu1 P2 C28 4.0(2) . . . . ?
N1 Cu1 P2 C28 -82.9(2) . . . . ?
P1 Cu1 P2 C28 155.50(18) . . . . ?
N2 Cu1 P2 C34 122.3(2) . . . . ?
N1 Cu1 P2 C34 35.3(2) . . . . ?
P1 Cu1 P2 C34 -86.23(19) . . . . ?
N2 Cu1 P2 C10 -118.7(2) . . . . ?
N1 Cu1 P2 C10 154.3(2) . . . . ?
P1 Cu1 P2 C10 32.75(18) . . . . ?
N2 Cu1 N1 C1 -175.2(5) . . . . ?
P2 Cu1 N1 C1 -54.0(4) . . . . ?
P1 Cu1 N1 C1 71.5(4) . . . . ?
N2 Cu1 N1 C5 -2.8(3) . . . . ?
P2 Cu1 N1 C5 118.4(3) . . . . ?
P1 Cu1 N1 C5 -116.1(3) . . . . ?
N1 Cu1 N2 N3 -166.0(5) . . . . ?
P2 Cu1 N2 N3 91.4(5) . . . . ?
P1 Cu1 N2 N3 -60.1(5) . . . . ?
N1 Cu1 N2 C6 -3.5(3) . . . . ?
P2 Cu1 N2 C6 -106.0(3) . . . . ?
P1 Cu1 N2 C6 102.5(3) . . . . ?
C6 N2 N3 C8 0.1(6) . . . . ?
Cu1 N2 N3 C8 163.5(4) . . . . ?
C5 N1 C1 C2 0.6(8) . . . . ?
Cu1 N1 C1 C2 172.6(4) . . . . ?
N1 C1 C2 C3 -1.4(9) . . . . ?
C1 C2 C3 C4 2.3(10) . . . . ?
C2 C3 C4 C5 -2.4(10) . . . . ?
C1 N1 C5 C4 -0.8(7) . . . . ?
Cu1 N1 C5 C4 -174.0(4) . . . . ?
C1 N1 C5 C6 -178.3(4) . . . . ?
Cu1 N1 C5 C6 8.4(5) . . . . ?
C3 C4 C5 N1 1.7(8) . . . . ?
C3 C4 C5 C6 179.1(5) . . . . ?
N3 N2 C6 C7 0.1(6) . . . . ?
Cu1 N2 C6 C7 -167.6(4) . . . . ?
N3 N2 C6 C5 176.9(4) . . . . ?
Cu1 N2 C6 C5 9.2(6) . . . . ?
N1 C5 C6 N2 -12.0(7) . . . . ?
C4 C5 C6 N2 170.5(5) . . . . ?
N1 C5 C6 C7 163.9(6) . . . . ?
C4 C5 C6 C7 -13.5(9) . . . . ?
N2 C6 C7 C8 -0.2(7) . . . . ?
C5 C6 C7 C8 -176.4(6) . . . . ?
C6 C7 C8 N3 0.3(7) . . . . ?
N2 N3 C8 C7 -0.2(7) . . . . ?
C16 P1 C9 C12 168.0(4) . . . 3_656 ?
C22 P1 C9 C12 61.6(4) . . . 3_656 ?
Cu1 P1 C9 C12 -72.1(4) . . . 3_656 ?
C28 P2 C10 C11 -67.9(4) . . . . ?
C34 P2 C10 C11 -174.6(3) . . . . ?
Cu1 P2 C10 C11 66.0(4) . . . . ?
P2 C10 C11 C12 -177.6(3) . . . . ?
C10 C11 C12 C9 178.8(4) . . . 3_656 ?
C9 P1 C16 C17 -159.0(4) . . . . ?
C22 P1 C16 C17 -52.3(5) . . . . ?
Cu1 P1 C16 C17 73.7(4) . . . . ?
C9 P1 C16 C21 27.6(5) . . . . ?
C22 P1 C16 C21 134.3(4) . . . . ?
Cu1 P1 C16 C21 -99.6(4) . . . . ?
C21 C16 C17 C18 -0.5(9) . . . . ?
P1 C16 C17 C18 -174.2(5) . . . . ?
C16 C17 C18 C19 0.6(10) . . . . ?
C17 C18 C19 C20 -0.8(11) . . . . ?
C18 C19 C20 C21 0.9(11) . . . . ?
C17 C16 C21 C20 0.6(9) . . . . ?
P1 C16 C21 C20 174.0(5) . . . . ?
C19 C20 C21 C16 -0.8(10) . . . . ?
C9 P1 C22 C27 -134.3(4) . . . . ?
C16 P1 C22 C27 118.7(4) . . . . ?
Cu1 P1 C22 C27 -0.2(4) . . . . ?
C9 P1 C22 C23 43.5(4) . . . . ?
C16 P1 C22 C23 -63.5(4) . . . . ?
Cu1 P1 C22 C23 177.6(3) . . . . ?
C27 C22 C23 C24 -1.2(7) . . . . ?
P1 C22 C23 C24 -179.0(4) . . . . ?
C22 C23 C24 C25 0.2(8) . . . . ?
C23 C24 C25 C26 -0.1(9) . . . . ?
C24 C25 C26 C27 1.1(9) . . . . ?
C23 C22 C27 C26 2.1(7) . . . . ?
P1 C22 C27 C26 -180.0(4) . . . . ?
C25 C26 C27 C22 -2.1(8) . . . . ?
C34 P2 C28 C33 -137.4(4) . . . . ?
C10 P2 C28 C33 112.5(4) . . . . ?
Cu1 P2 C28 C33 -16.7(5) . . . . ?
C34 P2 C28 C29 45.6(4) . . . . ?
C10 P2 C28 C29 -64.5(4) . . . . ?
Cu1 P2 C28 C29 166.3(3) . . . . ?
C33 C28 C29 C30 -0.6(8) . . . . ?
P2 C28 C29 C30 176.6(4) . . . . ?
C28 C29 C30 C31 0.9(8) . . . . ?
C29 C30 C31 C32 -1.2(9) . . . . ?
C30 C31 C32 C33 1.1(9) . . . . ?
C29 C28 C33 C32 0.5(8) . . . . ?
P2 C28 C33 C32 -176.6(4) . . . . ?
C31 C32 C33 C28 -0.8(8) . . . . ?
C28 P2 C34 C39 -143.0(4) . . . . ?
C10 P2 C34 C39 -37.7(5) . . . . ?
Cu1 P2 C34 C39 86.4(4) . . . . ?
C28 P2 C34 C35 48.2(4) . . . . ?
C10 P2 C34 C35 153.5(4) . . . . ?
Cu1 P2 C34 C35 -82.4(4) . . . . ?
C39 C34 C35 C36 0.9(8) . . . . ?
P2 C34 C35 C36 170.1(4) . . . . ?
C34 C35 C36 C37 -1.4(8) . . . . ?
C35 C36 C37 C38 1.3(9) . . . . ?
C36 C37 C38 C39 -0.8(10) . . . . ?
C35 C34 C39 C38 -0.4(8) . . . . ?
P2 C34 C39 C38 -169.2(5) . . . . ?
C37 C38 C39 C34 0.3(10) . . . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        27.45
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.677
_refine_diff_density_min         -0.449
_refine_diff_density_rms         0.072
####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 1421825'
_audit_update_record             
;
2015-09-01 deposited with the CCDC.
2015-11-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C81 H88 Cl4 Cu2 N6 O8 P4'
_chemical_formula_weight         1666.33

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'
Cl Cl 0.1484 0.1585 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

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

_cell_length_a                   30.1773(7)
_cell_length_b                   13.1702(3)
_cell_length_c                   23.9402(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 119.9200(10)
_cell_angle_gamma                90.00
_cell_volume                     8246.7(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      1.73
_cell_measurement_theta_max      26.00

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.342
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3464
_exptl_absorpt_coefficient_mu    0.780
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7885
_exptl_absorpt_correction_T_max  0.8472
_exptl_absorpt_process_details   'SADABS (Bruker, 2008)'

_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  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            32315
_diffrn_reflns_av_R_equivalents  0.0375
_diffrn_reflns_av_sigmaI/netI    0.0405
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.73
_diffrn_reflns_theta_max         26.00
_reflns_number_total             8086
_reflns_number_gt                5342
_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)+(0.1370P)²+13.5924P] 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     SHELXL
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8086
_refine_ls_number_parameters     502
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.1037
_refine_ls_R_factor_gt           0.0687
_refine_ls_wR_factor_ref         0.2371
_refine_ls_wR_factor_gt          0.2090
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.037
_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
Cu1 Cu 0.36274(2) 0.85176(4) -0.04357(3) 0.0547(2) Uani 1 1 d . . .
Cl2 Cl 0.03931(15) 0.7563(3) 0.2337(2) 0.1891(13) Uani 1 1 d . . .
P1 P 0.37468(4) 0.84216(9) -0.12873(6) 0.0495(3) Uani 1 1 d . . .
P2 P 0.38629(5) 0.99456(10) 0.01343(6) 0.0571(3) Uani 1 1 d . . .
N1 N 0.28522(15) 0.8131(3) -0.07788(19) 0.0598(10) Uani 1 1 d . . .
N2 N 0.36974(16) 0.7163(3) 0.00303(19) 0.0595(10) Uani 1 1 d . . .
N3 N 0.40651(17) 0.6504(3) 0.0422(2) 0.0655(11) Uani 1 1 d . . .
H3B H 0.4387 0.6638 0.0611 0.079 Uiso 1 1 calc R . .
C1 C 0.2434(2) 0.8668(5) -0.1180(3) 0.0802(16) Uani 1 1 d . . .
H1B H 0.2474 0.9304 -0.1318 0.096 Uiso 1 1 calc R . .
C2 C 0.1947(2) 0.8301(7) -0.1394(4) 0.103(2) Uani 1 1 d . . .
H2B H 0.1664 0.8685 -0.1674 0.124 Uiso 1 1 calc R . .
C3 C 0.1887(3) 0.7392(7) -0.1197(4) 0.115(3) Uani 1 1 d . . .
H3C H 0.1560 0.7139 -0.1337 0.138 Uiso 1 1 calc R . .
C4 C 0.2298(3) 0.6844(6) -0.0796(4) 0.103(2) Uani 1 1 d . . .
H4B H 0.2258 0.6211 -0.0654 0.124 Uiso 1 1 calc R . .
C5 C 0.2789(2) 0.7226(4) -0.0590(3) 0.0668(13) Uani 1 1 d . . .
C6 C 0.3260(2) 0.6692(4) -0.0155(2) 0.0647(13) Uani 1 1 d . . .
C7 C 0.3357(2) 0.5701(4) 0.0119(3) 0.0793(16) Uani 1 1 d . . .
H7A H 0.3115 0.5212 0.0060 0.095 Uiso 1 1 calc R . .
C8 C 0.3873(2) 0.5612(4) 0.0486(3) 0.0735(15) Uani 1 1 d . . .
C9 C 0.4219(3) 0.4763(5) 0.0894(4) 0.097(2) Uani 1 1 d . . .
C10 C 0.3890(4) 0.3855(6) 0.0873(4) 0.134(3) Uani 1 1 d . . .
H10A H 0.3681 0.4052 0.1051 0.200 Uiso 1 1 calc R . .
H10B H 0.4109 0.3304 0.1120 0.200 Uiso 1 1 calc R . .
H10C H 0.3677 0.3643 0.0434 0.200 Uiso 1 1 calc R . .
C11 C 0.4528(4) 0.5145(7) 0.1584(4) 0.163(4) Uani 1 1 d . . .
H11A H 0.4733 0.5714 0.1598 0.245 Uiso 1 1 calc R . .
H11B H 0.4747 0.4612 0.1855 0.245 Uiso 1 1 calc R . .
H11C H 0.4300 0.5351 0.1734 0.245 Uiso 1 1 calc R . .
C12 C 0.4568(4) 0.4462(7) 0.0634(6) 0.154(4) Uani 1 1 d . . .
H12A H 0.4775 0.5033 0.0659 0.232 Uiso 1 1 calc R . .
H12B H 0.4365 0.4250 0.0194 0.232 Uiso 1 1 calc R . .
H12C H 0.4785 0.3913 0.0887 0.232 Uiso 1 1 calc R . .
C13 C 0.43490(18) 0.8920(4) -0.1197(2) 0.0568(11) Uani 1 1 d . . .
H13A H 0.4324 0.8945 -0.1616 0.068 Uiso 1 1 calc R . .
H13B H 0.4401 0.9607 -0.1030 0.068 Uiso 1 1 calc R . .
C14 C 0.48069(18) 0.8268(4) -0.0745(3) 0.0689(14) Uani 1 1 d . . .
H14A H 0.4743 0.7574 -0.0901 0.083 Uiso 1 1 calc R . .
H14B H 0.4838 0.8270 -0.0321 0.083 Uiso 1 1 calc R . .
C15 C 0.44839(19) 1.0446(4) 0.0273(2) 0.0639(13) Uani 1 1 d . . .
H15A H 0.4737 0.9913 0.0472 0.077 Uiso 1 1 calc R . .
H15B H 0.4451 1.0588 -0.0144 0.077 Uiso 1 1 calc R . .
C16 C 0.4687(2) 1.1380(4) 0.0679(3) 0.0752(15) Uani 1 1 d . . .
H16A H 0.4735 1.1243 0.1104 0.090 Uiso 1 1 calc R . .
H16B H 0.4437 1.1921 0.0488 0.090 Uiso 1 1 calc R . .
C17 C 0.0000 0.6890(16) 0.2500 0.248(12) Uani 1 2 d S . .
H17A H 0.0206 0.6454 0.2866 0.298 Uiso 0.50 1 calc PR . .
H17B H -0.0206 0.6454 0.2134 0.298 Uiso 0.50 1 calc PR . .
C20 C 0.32552(19) 0.9175(4) -0.1941(2) 0.0606(12) Uani 1 1 d . . .
C21 C 0.3344(3) 1.0174(5) -0.2013(3) 0.0844(17) Uani 1 1 d . . .
H21A H 0.3666 1.0450 -0.1748 0.101 Uiso 1 1 calc R . .
C22 C 0.2966(3) 1.0771(7) -0.2468(4) 0.115(3) Uani 1 1 d . . .
H22A H 0.3033 1.1447 -0.2511 0.138 Uiso 1 1 calc R . .
C23 C 0.2496(4) 1.0382(8) -0.2856(4) 0.125(3) Uani 1 1 d . . .
H23A H 0.2247 1.0788 -0.3176 0.150 Uiso 1 1 calc R . .
C24 C 0.2376(3) 0.9391(7) -0.2786(3) 0.114(3) Uani 1 1 d . . .
H24A H 0.2047 0.9138 -0.3037 0.136 Uiso 1 1 calc R . .
C25 C 0.2772(2) 0.8781(5) -0.2322(3) 0.0858(18) Uani 1 1 d . . .
H25A H 0.2707 0.8107 -0.2273 0.103 Uiso 1 1 calc R . .
C26 C 0.37210(17) 0.7178(4) -0.1628(2) 0.0549(11) Uani 1 1 d . . .
C27 C 0.3575(2) 0.7017(5) -0.2271(3) 0.0801(16) Uani 1 1 d . . .
H27A H 0.3449 0.7552 -0.2562 0.096 Uiso 1 1 calc R . .
C28 C 0.3617(3) 0.6058(6) -0.2477(3) 0.103(2) Uani 1 1 d . . .
H28A H 0.3503 0.5951 -0.2912 0.123 Uiso 1 1 calc R . .
C29 C 0.3825(3) 0.5253(5) -0.2049(4) 0.0929(19) Uani 1 1 d . . .
H29A H 0.3875 0.4626 -0.2188 0.112 Uiso 1 1 calc R . .
C30 C 0.3954(2) 0.5398(4) -0.1430(3) 0.0837(17) Uani 1 1 d . . .
H30A H 0.4077 0.4857 -0.1142 0.100 Uiso 1 1 calc R . .
C31 C 0.3904(2) 0.6349(4) -0.1221(3) 0.0667(13) Uani 1 1 d . . .
H31A H 0.3998 0.6434 -0.0790 0.080 Uiso 1 1 calc R . .
C32 C 0.3398(2) 1.0937(4) -0.0250(2) 0.0709(14) Uani 1 1 d . . .
C33 C 0.3469(3) 1.1693(7) -0.0607(4) 0.114(3) Uani 1 1 d . . .
H33A H 0.3771 1.1715 -0.0620 0.137 Uiso 1 1 calc R . .
C34 C 0.3103(5) 1.2392(9) -0.0932(5) 0.155(4) Uani 1 1 d U . .
H34A H 0.3160 1.2889 -0.1165 0.186 Uiso 1 1 calc R . .
C35 C 0.2661(5) 1.2390(9) -0.0930(5) 0.141(4) Uani 1 1 d . . .
H35A H 0.2419 1.2893 -0.1151 0.169 Uiso 1 1 calc R . .
C36 C 0.2566(3) 1.1677(9) -0.0614(6) 0.147(4) Uani 1 1 d . . .
H36A H 0.2253 1.1669 -0.0626 0.176 Uiso 1 1 calc R . .
C37 C 0.2940(3) 1.0916(6) -0.0255(4) 0.107(2) Uani 1 1 d . . .
H37A H 0.2876 1.0418 -0.0030 0.128 Uiso 1 1 calc R . .
C38 C 0.3965(2) 0.9863(4) 0.0951(2) 0.0629(13) Uani 1 1 d . . .
C39 C 0.3790(4) 1.0537(6) 0.1228(3) 0.113(3) Uani 1 1 d . . .
H39A H 0.3605 1.1104 0.0999 0.136 Uiso 1 1 calc R . .
C40 C 0.3888(4) 1.0376(8) 0.1850(4) 0.139(3) Uani 1 1 d U . .
H40A H 0.3758 1.0828 0.2031 0.167 Uiso 1 1 calc R . .
C41 C 0.4170(3) 0.9572(8) 0.2203(4) 0.118(3) Uani 1 1 d . . .
H41A H 0.4243 0.9494 0.2627 0.141 Uiso 1 1 calc R . .
C42 C 0.4346(2) 0.8888(6) 0.1944(3) 0.092(2) Uani 1 1 d . . .
H42A H 0.4535 0.8328 0.2179 0.110 Uiso 1 1 calc R . .
C43 C 0.4236(2) 0.9046(5) 0.1309(3) 0.0757(15) Uani 1 1 d . . .
H43A H 0.4352 0.8574 0.1123 0.091 Uiso 1 1 calc R . .
Cl1 Cl 0.04937(6) 1.25096(10) 0.12718(8) 0.0750(4) Uani 1 1 d . . .
O1 O 0.0445(3) 1.3530(4) 0.1137(4) 0.147(2) Uani 1 1 d . A .
O2 O 0.0490(13) 1.2240(10) 0.1821(9) 0.167(15) Uani 0.58(4) 1 d P A 1
O3 O 0.0109(5) 1.1962(13) 0.0769(7) 0.122(7) Uani 0.58(4) 1 d P A 1
O4 O 0.0944(6) 1.2205(10) 0.1331(15) 0.147(11) Uani 0.58(4) 1 d P A 1
O2' O 0.0084(9) 1.2276(18) 0.1318(19) 0.175(17) Uani 0.42(4) 1 d P A 2
O3' O 0.0484(19) 1.1937(14) 0.0774(11) 0.18(3) Uani 0.42(4) 1 d P A 2
O4' O 0.0944(9) 1.2326(15) 0.1827(14) 0.145(14) Uani 0.42(4) 1 d P A 2


_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 N2 2.059(4) . ?
Cu1 N1 2.119(4) . ?
Cu1 P2 2.2219(14) . ?
Cu1 P1 2.2440(13) . ?
Cl2 C17 1.675(12) . ?
P1 C26 1.815(5) . ?
P1 C20 1.822(5) . ?
P1 C13 1.841(5) . ?
P2 C32 1.798(6) . ?
P2 C38 1.825(5) . ?
P2 C15 1.854(5) . ?
N1 C5 1.321(7) . ?
N1 C1 1.345(7) . ?
N2 C6 1.320(6) . ?
N2 N3 1.351(6) . ?
N3 C8 1.352(7) . ?
N3 H3B 0.8600 . ?
C1 C2 1.379(9) . ?
C1 H1B 0.9300 . ?
C2 C3 1.333(10) . ?
C2 H2B 0.9300 . ?
C3 C4 1.339(10) . ?
C3 H3C 0.9300 . ?
C4 C5 1.401(8) . ?
C4 H4B 0.9300 . ?
C5 C6 1.457(8) . ?
C6 C7 1.424(8) . ?
C7 C8 1.358(8) . ?
C7 H7A 0.9300 . ?
C8 C9 1.511(9) . ?
C9 C12 1.519(11) . ?
C9 C11 1.521(11) . ?
C9 C10 1.537(10) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C14 1.525(7) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C16 1.529(7) 5_675 ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.497(7) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C14 1.529(7) 5_675 ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 Cl2 1.675(12) 2 ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C20 C21 1.371(8) . ?
C20 C25 1.378(8) . ?
C21 C22 1.365(9) . ?
C21 H21A 0.9300 . ?
C22 C23 1.350(12) . ?
C22 H22A 0.9300 . ?
C23 C24 1.386(13) . ?
C23 H23A 0.9300 . ?
C24 C25 1.407(9) . ?
C24 H24A 0.9300 . ?
C25 H25A 0.9300 . ?
C26 C31 1.382(7) . ?
C26 C27 1.388(7) . ?
C27 C28 1.384(9) . ?
C27 H27A 0.9300 . ?
C28 C29 1.388(10) . ?
C28 H28A 0.9300 . ?
C29 C30 1.345(9) . ?
C29 H29A 0.9300 . ?
C30 C31 1.385(8) . ?
C30 H30A 0.9300 . ?
C31 H31A 0.9300 . ?
C32 C37 1.375(9) . ?
C32 C33 1.396(9) . ?
C33 C34 1.346(12) . ?
C33 H33A 0.9300 . ?
C34 C35 1.339(15) . ?
C34 H34A 0.9300 . ?
C35 C36 1.323(14) . ?
C35 H35A 0.9300 . ?
C36 C37 1.433(13) . ?
C36 H36A 0.9300 . ?
C37 H37A 0.9300 . ?
C38 C39 1.363(9) . ?
C38 C43 1.365(8) . ?
C39 C40 1.382(10) . ?
C39 H39A 0.9300 . ?
C40 C41 1.358(12) . ?
C40 H40A 0.9300 . ?
C41 C42 1.344(11) . ?
C41 H41A 0.9300 . ?
C42 C43 1.399(8) . ?
C42 H42A 0.9300 . ?
C43 H43A 0.9300 . ?
Cl1 O2' 1.331(16) . ?
Cl1 O4 1.354(13) . ?
Cl1 O2 1.366(12) . ?
Cl1 O4' 1.368(16) . ?
Cl1 O1 1.373(5) . ?
Cl1 O3 1.387(13) . ?
Cl1 O3' 1.398(17) . ?

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
N2 Cu1 N1 78.27(16) . . ?
N2 Cu1 P2 119.08(12) . . ?
N1 Cu1 P2 113.24(12) . . ?
N2 Cu1 P1 115.08(12) . . ?
N1 Cu1 P1 106.30(11) . . ?
P2 Cu1 P1 117.29(5) . . ?
C26 P1 C20 105.7(2) . . ?
C26 P1 C13 101.1(2) . . ?
C20 P1 C13 103.9(2) . . ?
C26 P1 Cu1 117.99(16) . . ?
C20 P1 Cu1 108.62(16) . . ?
C13 P1 Cu1 118.00(15) . . ?
C32 P2 C38 105.2(3) . . ?
C32 P2 C15 107.1(3) . . ?
C38 P2 C15 102.4(2) . . ?
C32 P2 Cu1 111.85(17) . . ?
C38 P2 Cu1 116.05(17) . . ?
C15 P2 Cu1 113.32(17) . . ?
C5 N1 C1 118.3(5) . . ?
C5 N1 Cu1 113.8(3) . . ?
C1 N1 Cu1 127.7(4) . . ?
C6 N2 N3 105.6(4) . . ?
C6 N2 Cu1 114.2(3) . . ?
N3 N2 Cu1 139.4(3) . . ?
N2 N3 C8 112.7(5) . . ?
N2 N3 H3B 123.7 . . ?
C8 N3 H3B 123.7 . . ?
N1 C1 C2 121.8(6) . . ?
N1 C1 H1B 119.1 . . ?
C2 C1 H1B 119.1 . . ?
C3 C2 C1 119.5(7) . . ?
C3 C2 H2B 120.2 . . ?
C1 C2 H2B 120.2 . . ?
C2 C3 C4 119.7(7) . . ?
C2 C3 H3C 120.1 . . ?
C4 C3 H3C 120.1 . . ?
C3 C4 C5 119.8(7) . . ?
C3 C4 H4B 120.1 . . ?
C5 C4 H4B 120.1 . . ?
N1 C5 C4 120.8(6) . . ?
N1 C5 C6 115.1(4) . . ?
C4 C5 C6 124.1(6) . . ?
N2 C6 C7 109.5(5) . . ?
N2 C6 C5 117.9(5) . . ?
C7 C6 C5 132.5(5) . . ?
C8 C7 C6 106.4(5) . . ?
C8 C7 H7A 126.8 . . ?
C6 C7 H7A 126.8 . . ?
N3 C8 C7 105.7(5) . . ?
N3 C8 C9 121.3(5) . . ?
C7 C8 C9 133.0(5) . . ?
C8 C9 C12 109.0(6) . . ?
C8 C9 C11 108.0(6) . . ?
C12 C9 C11 110.8(8) . . ?
C8 C9 C10 109.1(6) . . ?
C12 C9 C10 110.6(7) . . ?
C11 C9 C10 109.3(7) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 P1 112.0(3) . . ?
C14 C13 H13A 109.2 . . ?
P1 C13 H13A 109.2 . . ?
C14 C13 H13B 109.2 . . ?
P1 C13 H13B 109.2 . . ?
H13A C13 H13B 107.9 . . ?
C13 C14 C16 114.1(5) . 5_675 ?
C13 C14 H14A 108.7 . . ?
C16 C14 H14A 108.7 5_675 . ?
C13 C14 H14B 108.7 . . ?
C16 C14 H14B 108.7 5_675 . ?
H14A C14 H14B 107.6 . . ?
C16 C15 P2 117.2(4) . . ?
C16 C15 H15A 108.0 . . ?
P2 C15 H15A 108.0 . . ?
C16 C15 H15B 108.0 . . ?
P2 C15 H15B 108.0 . . ?
H15A C15 H15B 107.2 . . ?
C15 C16 C14 112.3(5) . 5_675 ?
C15 C16 H16A 109.1 . . ?
C14 C16 H16A 109.1 5_675 . ?
C15 C16 H16B 109.1 . . ?
C14 C16 H16B 109.1 5_675 . ?
H16A C16 H16B 107.9 . . ?
Cl2 C17 Cl2 116.1(13) . 2 ?
Cl2 C17 H17A 108.3 . . ?
Cl2 C17 H17A 108.3 2 . ?
Cl2 C17 H17B 108.3 . . ?
Cl2 C17 H17B 108.3 2 . ?
H17A C17 H17B 107.4 . . ?
C21 C20 C25 119.1(5) . . ?
C21 C20 P1 120.3(4) . . ?
C25 C20 P1 120.2(4) . . ?
C22 C21 C20 121.0(7) . . ?
C22 C21 H21A 119.5 . . ?
C20 C21 H21A 119.5 . . ?
C23 C22 C21 120.2(8) . . ?
C23 C22 H22A 119.9 . . ?
C21 C22 H22A 119.9 . . ?
C22 C23 C24 121.4(7) . . ?
C22 C23 H23A 119.3 . . ?
C24 C23 H23A 119.3 . . ?
C23 C24 C25 117.6(8) . . ?
C23 C24 H24A 121.2 . . ?
C25 C24 H24A 121.2 . . ?
C20 C25 C24 120.6(7) . . ?
C20 C25 H25A 119.7 . . ?
C24 C25 H25A 119.7 . . ?
C31 C26 C27 117.1(5) . . ?
C31 C26 P1 118.9(4) . . ?
C27 C26 P1 123.7(4) . . ?
C28 C27 C26 120.0(6) . . ?
C28 C27 H27A 120.0 . . ?
C26 C27 H27A 120.0 . . ?
C27 C28 C29 121.4(6) . . ?
C27 C28 H28A 119.3 . . ?
C29 C28 H28A 119.3 . . ?
C30 C29 C28 118.8(6) . . ?
C30 C29 H29A 120.6 . . ?
C28 C29 H29A 120.6 . . ?
C29 C30 C31 120.1(6) . . ?
C29 C30 H30A 119.9 . . ?
C31 C30 H30A 119.9 . . ?
C26 C31 C30 122.5(5) . . ?
C26 C31 H31A 118.7 . . ?
C30 C31 H31A 118.7 . . ?
C37 C32 C33 117.9(7) . . ?
C37 C32 P2 120.9(5) . . ?
C33 C32 P2 120.9(5) . . ?
C34 C33 C32 120.8(10) . . ?
C34 C33 H33A 119.6 . . ?
C32 C33 H33A 119.6 . . ?
C35 C34 C33 121.8(11) . . ?
C35 C34 H34A 119.1 . . ?
C33 C34 H34A 119.1 . . ?
C36 C35 C34 120.3(10) . . ?
C36 C35 H35A 119.9 . . ?
C34 C35 H35A 119.9 . . ?
C35 C36 C37 120.6(10) . . ?
C35 C36 H36A 119.7 . . ?
C37 C36 H36A 119.7 . . ?
C32 C37 C36 118.6(9) . . ?
C32 C37 H37A 120.7 . . ?
C36 C37 H37A 120.7 . . ?
C39 C38 C43 117.6(5) . . ?
C39 C38 P2 125.7(5) . . ?
C43 C38 P2 116.6(4) . . ?
C38 C39 C40 119.9(8) . . ?
C38 C39 H39A 120.1 . . ?
C40 C39 H39A 120.1 . . ?
C41 C40 C39 121.4(8) . . ?
C41 C40 H40A 119.3 . . ?
C39 C40 H40A 119.3 . . ?
C42 C41 C40 120.3(7) . . ?
C42 C41 H41A 119.8 . . ?
C40 C41 H41A 119.8 . . ?
C41 C42 C43 117.8(7) . . ?
C41 C42 H42A 121.1 . . ?
C43 C42 H42A 121.1 . . ?
C38 C43 C42 122.9(6) . . ?
C38 C43 H43A 118.5 . . ?
C42 C43 H43A 118.5 . . ?
O2' Cl1 O4 148.0(12) . . ?
O2' Cl1 O2 53.7(12) . . ?
O4 Cl1 O2 108.1(12) . . ?
O2' Cl1 O4' 113.1(16) . . ?
O4 Cl1 O4' 52.2(11) . . ?
O2 Cl1 O4' 60.0(12) . . ?
O2' Cl1 O1 104.5(11) . . ?
O4 Cl1 O1 107.4(7) . . ?
O2 Cl1 O1 115.4(7) . . ?
O4' Cl1 O1 109.8(9) . . ?
O2' Cl1 O3 62.7(14) . . ?
O4 Cl1 O3 107.4(10) . . ?
O2 Cl1 O3 107.2(10) . . ?
O4' Cl1 O3 138.4(10) . . ?
O1 Cl1 O3 111.1(7) . . ?
O2' Cl1 O3' 108.7(19) . . ?
O4 Cl1 O3' 61.5(15) . . ?
O2 Cl1 O3' 132.3(12) . . ?
O4' Cl1 O3' 108.7(16) . . ?
O1 Cl1 O3' 111.9(9) . . ?
O3 Cl1 O3' 47.7(16) . . ?

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
N2 Cu1 P1 C26 16.2(2) . . . . ?
N1 Cu1 P1 C26 -68.2(2) . . . . ?
P2 Cu1 P1 C26 163.93(17) . . . . ?
N2 Cu1 P1 C20 136.4(2) . . . . ?
N1 Cu1 P1 C20 52.0(2) . . . . ?
P2 Cu1 P1 C20 -75.86(19) . . . . ?
N2 Cu1 P1 C13 -105.8(2) . . . . ?
N1 Cu1 P1 C13 169.8(2) . . . . ?
P2 Cu1 P1 C13 41.9(2) . . . . ?
N2 Cu1 P2 C32 -134.5(2) . . . . ?
N1 Cu1 P2 C32 -45.4(3) . . . . ?
P1 Cu1 P2 C32 79.1(2) . . . . ?
N2 Cu1 P2 C38 -13.8(3) . . . . ?
N1 Cu1 P2 C38 75.3(2) . . . . ?
P1 Cu1 P2 C38 -160.2(2) . . . . ?
N2 Cu1 P2 C15 104.3(2) . . . . ?
N1 Cu1 P2 C15 -166.6(2) . . . . ?
P1 Cu1 P2 C15 -42.1(2) . . . . ?
N2 Cu1 N1 C5 -5.6(4) . . . . ?
P2 Cu1 N1 C5 -122.4(3) . . . . ?
P1 Cu1 N1 C5 107.4(3) . . . . ?
N2 Cu1 N1 C1 178.1(5) . . . . ?
P2 Cu1 N1 C1 61.3(5) . . . . ?
P1 Cu1 N1 C1 -68.9(5) . . . . ?
N1 Cu1 N2 C6 7.0(4) . . . . ?
P2 Cu1 N2 C6 117.2(3) . . . . ?
P1 Cu1 N2 C6 -95.7(4) . . . . ?
N1 Cu1 N2 N3 175.4(5) . . . . ?
P2 Cu1 N2 N3 -74.4(5) . . . . ?
P1 Cu1 N2 N3 72.7(5) . . . . ?
C6 N2 N3 C8 0.9(6) . . . . ?
Cu1 N2 N3 C8 -168.1(4) . . . . ?
C5 N1 C1 C2 0.3(9) . . . . ?
Cu1 N1 C1 C2 176.5(5) . . . . ?
N1 C1 C2 C3 0.4(11) . . . . ?
C1 C2 C3 C4 -0.2(13) . . . . ?
C2 C3 C4 C5 -0.5(13) . . . . ?
C1 N1 C5 C4 -1.0(8) . . . . ?
Cu1 N1 C5 C4 -177.7(5) . . . . ?
C1 N1 C5 C6 -179.9(5) . . . . ?
Cu1 N1 C5 C6 3.5(6) . . . . ?
C3 C4 C5 N1 1.2(11) . . . . ?
C3 C4 C5 C6 179.9(7) . . . . ?
N3 N2 C6 C7 -1.2(6) . . . . ?
Cu1 N2 C6 C7 171.0(4) . . . . ?
N3 N2 C6 C5 -179.7(4) . . . . ?
Cu1 N2 C6 C5 -7.5(6) . . . . ?
N1 C5 C6 N2 2.6(7) . . . . ?
C4 C5 C6 N2 -176.1(6) . . . . ?
N1 C5 C6 C7 -175.4(6) . . . . ?
C4 C5 C6 C7 5.8(10) . . . . ?
N2 C6 C7 C8 1.1(7) . . . . ?
C5 C6 C7 C8 179.3(6) . . . . ?
N2 N3 C8 C7 -0.2(6) . . . . ?
N2 N3 C8 C9 178.9(5) . . . . ?
C6 C7 C8 N3 -0.5(7) . . . . ?
C6 C7 C8 C9 -179.5(7) . . . . ?
N3 C8 C9 C12 -59.3(9) . . . . ?
C7 C8 C9 C12 119.6(9) . . . . ?
N3 C8 C9 C11 61.2(9) . . . . ?
C7 C8 C9 C11 -119.9(9) . . . . ?
N3 C8 C9 C10 179.9(6) . . . . ?
C7 C8 C9 C10 -1.2(11) . . . . ?
C26 P1 C13 C14 -61.0(4) . . . . ?
C20 P1 C13 C14 -170.5(4) . . . . ?
Cu1 P1 C13 C14 69.3(4) . . . . ?
P1 C13 C14 C16 177.1(4) . . . 5_675 ?
C32 P2 C15 C16 59.0(5) . . . . ?
C38 P2 C15 C16 -51.4(5) . . . . ?
Cu1 P2 C15 C16 -177.2(4) . . . . ?
P2 C15 C16 C14 -178.7(4) . . . 5_675 ?
C26 P1 C20 C21 -140.4(4) . . . . ?
C13 P1 C20 C21 -34.4(5) . . . . ?
Cu1 P1 C20 C21 92.0(5) . . . . ?
C26 P1 C20 C25 47.0(5) . . . . ?
C13 P1 C20 C25 153.0(4) . . . . ?
Cu1 P1 C20 C25 -80.6(5) . . . . ?
C25 C20 C21 C22 -2.0(9) . . . . ?
P1 C20 C21 C22 -174.7(5) . . . . ?
C20 C21 C22 C23 0.1(12) . . . . ?
C21 C22 C23 C24 2.9(13) . . . . ?
C22 C23 C24 C25 -3.9(13) . . . . ?
C21 C20 C25 C24 0.9(9) . . . . ?
P1 C20 C25 C24 173.6(5) . . . . ?
C23 C24 C25 C20 1.9(11) . . . . ?
C20 P1 C26 C31 -156.6(4) . . . . ?
C13 P1 C26 C31 95.4(4) . . . . ?
Cu1 P1 C26 C31 -34.9(4) . . . . ?
C20 P1 C26 C27 30.3(5) . . . . ?
C13 P1 C26 C27 -77.8(5) . . . . ?
Cu1 P1 C26 C27 152.0(4) . . . . ?
C31 C26 C27 C28 -0.1(8) . . . . ?
P1 C26 C27 C28 173.2(5) . . . . ?
C26 C27 C28 C29 -3.0(11) . . . . ?
C27 C28 C29 C30 4.8(11) . . . . ?
C28 C29 C30 C31 -3.5(10) . . . . ?
C27 C26 C31 C30 1.4(8) . . . . ?
P1 C26 C31 C30 -172.3(5) . . . . ?
C29 C30 C31 C26 0.4(9) . . . . ?
C38 P2 C32 C37 -53.3(5) . . . . ?
C15 P2 C32 C37 -161.8(5) . . . . ?
Cu1 P2 C32 C37 73.5(5) . . . . ?
C38 P2 C32 C33 133.3(5) . . . . ?
C15 P2 C32 C33 24.9(6) . . . . ?
Cu1 P2 C32 C33 -99.9(5) . . . . ?
C37 C32 C33 C34 1.5(12) . . . . ?
P2 C32 C33 C34 175.1(7) . . . . ?
C32 C33 C34 C35 -0.2(16) . . . . ?
C33 C34 C35 C36 -1.6(18) . . . . ?
C34 C35 C36 C37 2.0(18) . . . . ?
C33 C32 C37 C36 -1.1(10) . . . . ?
P2 C32 C37 C36 -174.7(6) . . . . ?
C35 C36 C37 C32 -0.6(14) . . . . ?
C32 P2 C38 C39 -10.3(6) . . . . ?
C15 P2 C38 C39 101.5(6) . . . . ?
Cu1 P2 C38 C39 -134.5(6) . . . . ?
C32 P2 C38 C43 169.0(4) . . . . ?
C15 P2 C38 C43 -79.2(4) . . . . ?
Cu1 P2 C38 C43 44.8(4) . . . . ?
C43 C38 C39 C40 -0.2(11) . . . . ?
P2 C38 C39 C40 179.0(7) . . . . ?
C38 C39 C40 C41 2.0(15) . . . . ?
C39 C40 C41 C42 -2.5(15) . . . . ?
C40 C41 C42 C43 1.1(12) . . . . ?
C39 C38 C43 C42 -1.1(9) . . . . ?
P2 C38 C43 C42 179.5(4) . . . . ?
C41 C42 C43 C38 0.7(10) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.630
_refine_diff_density_min         -1.217
_refine_diff_density_rms         0.091
####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 1421826'
_audit_update_record             
;
2015-09-01 deposited with the CCDC.
2015-11-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C74 H68 Cl2 Cu2 F6 N6 O8 P4'
_chemical_formula_weight         1605.20

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'
Cl Cl 0.1484 0.1585 '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'
F F 0.0171 0.0103 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21/c

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

_cell_length_a                   13.987(4)
_cell_length_b                   16.724(5)
_cell_length_c                   20.307(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 127.657(14)
_cell_angle_gamma                90.00
_cell_volume                     3760.6(18)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    11489
_cell_measurement_theta_min      2.2052
_cell_measurement_theta_max      27.4855

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.2000
_exptl_crystal_size_min          0.2000
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.418
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1648
_exptl_absorpt_coefficient_mu    0.794
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.850
_exptl_absorpt_correction_T_max  0.855
_exptl_absorpt_process_details   'SADABS (Bruker, 2008)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            32284
_diffrn_reflns_av_R_equivalents  0.1275
_diffrn_reflns_av_sigmaI/netI    0.0862
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.75
_diffrn_reflns_theta_max         27.48
_reflns_number_total             8579
_reflns_number_gt                6789
_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)+(0.0973P)²+1.0106P] 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     SHELXL
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8579
_refine_ls_number_parameters     460
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1131
_refine_ls_R_factor_gt           0.0823
_refine_ls_wR_factor_ref         0.2285
_refine_ls_wR_factor_gt          0.2061
_refine_ls_goodness_of_fit_ref   1.179
_refine_ls_restrained_S_all      1.179
_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 -0.67510(5) 0.28376(3) -0.03710(4) 0.04555(19) Uani 1 1 d . . .
Cl1 Cl -0.68307(15) 0.47420(9) -0.24893(9) 0.0702(4) Uani 1 1 d . . .
P1 P -0.47797(10) 0.25794(6) 0.03939(7) 0.0420(3) Uani 1 1 d . . .
P2 P -0.25818(10) 0.60053(6) 0.02059(8) 0.0438(3) Uani 1 1 d . . .
F1 F -1.0852(5) 0.2332(4) -0.4449(3) 0.165(3) Uani 1 1 d . . .
F2 F -1.0118(5) 0.3498(3) -0.4103(3) 0.1330(18) Uani 1 1 d . . .
F3 F -0.9107(4) 0.2574(3) -0.4110(3) 0.1107(14) Uani 1 1 d . . .
O1 O -0.6922(13) 0.4987(6) -0.1936(7) 0.280(7) Uani 1 1 d . . .
O2 O -0.7592(14) 0.5083(7) -0.3167(6) 0.380(12) Uani 1 1 d . . .
O3 O -0.6827(6) 0.3900(3) -0.2559(5) 0.130(2) Uani 1 1 d . . .
O4 O -0.5775(11) 0.5015(5) -0.2264(10) 0.291(7) Uani 1 1 d . . .
N1 N -0.7853(4) 0.1923(2) -0.0427(3) 0.0497(9) Uani 1 1 d . . .
N2 N -0.7975(3) 0.2605(2) -0.1671(2) 0.0485(9) Uani 1 1 d . . .
N3 N -0.8261(4) 0.2861(2) -0.2398(3) 0.0596(11) Uani 1 1 d . . .
H3B H -0.7826 0.3185 -0.2442 0.072 Uiso 1 1 calc R . .
C1 C -0.7760(5) 0.1580(3) 0.0205(3) 0.0586(12) Uani 1 1 d . . .
H1A H -0.7095 0.1706 0.0744 0.070 Uiso 1 1 calc R . .
C2 C -0.8598(6) 0.1051(4) 0.0095(4) 0.0740(16) Uani 1 1 d . . .
H2B H -0.8472 0.0805 0.0553 0.089 Uiso 1 1 calc R . .
C3 C -0.9605(6) 0.0891(4) -0.0679(5) 0.0813(18) Uani 1 1 d . . .
H3C H -1.0196 0.0551 -0.0762 0.098 Uiso 1 1 calc R . .
C4 C -0.9736(5) 0.1244(3) -0.1346(4) 0.0714(16) Uani 1 1 d . . .
H4A H -1.0425 0.1149 -0.1886 0.086 Uiso 1 1 calc R . .
C5 C -0.8832(4) 0.1741(3) -0.1204(3) 0.0516(11) Uani 1 1 d . . .
C6 C -0.8883(4) 0.2111(3) -0.1881(3) 0.0534(11) Uani 1 1 d . . .
C7 C -0.9746(5) 0.2057(3) -0.2736(4) 0.0697(15) Uani 1 1 d . . .
H7A H -1.0454 0.1758 -0.3029 0.084 Uiso 1 1 calc R . .
C8 C -0.9328(5) 0.2543(4) -0.3058(4) 0.0639(13) Uani 1 1 d . . .
C9 C -0.9844(7) 0.2731(5) -0.3915(5) 0.093(2) Uani 1 1 d . . .
C10 C -0.3760(4) 0.3383(3) 0.0555(3) 0.0474(10) Uani 1 1 d . . .
H10A H -0.3887 0.3847 0.0780 0.057 Uiso 1 1 calc R . .
H10B H -0.2932 0.3209 0.0963 0.057 Uiso 1 1 calc R . .
C11 C -0.3943(5) 0.3626(3) -0.0238(3) 0.0580(12) Uani 1 1 d . . .
H11A H -0.4776 0.3788 -0.0652 0.070 Uiso 1 1 calc R . .
H11B H -0.3793 0.3167 -0.0456 0.070 Uiso 1 1 calc R . .
C12 C -0.3103(5) 0.4316(3) -0.0095(4) 0.0581(13) Uani 1 1 d . . .
H12A H -0.2279 0.4181 0.0369 0.070 Uiso 1 1 calc R . .
H12B H -0.3139 0.4373 -0.0585 0.070 Uiso 1 1 calc R . .
C13 C -0.3425(4) 0.5105(3) 0.0083(3) 0.0512(11) Uani 1 1 d . . .
H13A H -0.3348 0.5040 0.0588 0.061 Uiso 1 1 calc R . .
H13B H -0.4271 0.5206 -0.0364 0.061 Uiso 1 1 calc R . .
C14 C -0.4366(4) 0.1727(3) 0.0054(3) 0.0487(10) Uani 1 1 d . . .
C15 C -0.3204(5) 0.1561(3) 0.0345(5) 0.0808(19) Uani 1 1 d . . .
H15A H -0.2566 0.1873 0.0764 0.097 Uiso 1 1 calc R . .
C16 C -0.2986(7) 0.0917(4) 0.0007(6) 0.111(3) Uani 1 1 d . . .
H16A H -0.2202 0.0819 0.0194 0.134 Uiso 1 1 calc R . .
C17 C -0.3873(7) 0.0449(4) -0.0572(5) 0.087(2) Uani 1 1 d . . .
H17A H -0.3708 0.0025 -0.0786 0.104 Uiso 1 1 calc R . .
C18 C -0.5032(7) 0.0589(4) -0.0856(5) 0.106(3) Uani 1 1 d . . .
H18A H -0.5657 0.0260 -0.1260 0.127 Uiso 1 1 calc R . .
C19 C -0.5267(6) 0.1223(3) -0.0538(4) 0.088(2) Uani 1 1 d . . .
H19A H -0.6056 0.1312 -0.0729 0.106 Uiso 1 1 calc R . .
C20 C -0.4217(4) 0.2326(3) 0.1448(3) 0.0495(10) Uani 1 1 d . . .
C21 C -0.4473(5) 0.1573(3) 0.1600(4) 0.0663(14) Uani 1 1 d . . .
H21A H -0.4826 0.1187 0.1185 0.080 Uiso 1 1 calc R . .
C22 C -0.4211(7) 0.1392(4) 0.2358(5) 0.090(2) Uani 1 1 d . . .
H22A H -0.4391 0.0887 0.2447 0.108 Uiso 1 1 calc R . .
C23 C -0.3679(8) 0.1960(5) 0.2988(5) 0.101(2) Uani 1 1 d . . .
H23A H -0.3506 0.1839 0.3498 0.121 Uiso 1 1 calc R . .
C24 C -0.3411(7) 0.2705(4) 0.2847(4) 0.0862(19) Uani 1 1 d . . .
H24A H -0.3043 0.3087 0.3267 0.103 Uiso 1 1 calc R . .
C25 C -0.3687(6) 0.2887(3) 0.2083(4) 0.0666(14) Uani 1 1 d . . .
H25A H -0.3515 0.3395 0.1994 0.080 Uiso 1 1 calc R . .
C26 C -0.1025(4) 0.5863(3) 0.1124(3) 0.0515(11) Uani 1 1 d . . .
C27 C -0.0692(6) 0.5394(4) 0.1780(4) 0.0764(16) Uani 1 1 d . . .
H27A H -0.1263 0.5070 0.1743 0.092 Uiso 1 1 calc R . .
C28 C 0.0488(7) 0.5393(5) 0.2501(4) 0.100(2) Uani 1 1 d . . .
H28A H 0.0693 0.5065 0.2940 0.120 Uiso 1 1 calc R . .
C29 C 0.1339(6) 0.5850(5) 0.2586(5) 0.095(2) Uani 1 1 d . . .
H29A H 0.2126 0.5841 0.3078 0.114 Uiso 1 1 calc R . .
C30 C 0.1035(5) 0.6342(4) 0.1928(4) 0.0785(17) Uani 1 1 d . . .
H30A H 0.1617 0.6662 0.1974 0.094 Uiso 1 1 calc R . .
C31 C -0.0125(4) 0.6347(3) 0.1218(4) 0.0639(14) Uani 1 1 d . . .
H31A H -0.0330 0.6680 0.0783 0.077 Uiso 1 1 calc R . .
C32 C -0.2503(4) 0.5970(3) -0.0653(3) 0.0515(11) Uani 1 1 d . . .
C33 C -0.3348(5) 0.6423(4) -0.1371(3) 0.0665(14) Uani 1 1 d . . .
H33A H -0.3925 0.6724 -0.1392 0.080 Uiso 1 1 calc R . .
C34 C -0.3328(7) 0.6425(5) -0.2048(4) 0.092(2) Uani 1 1 d . . .
H34A H -0.3888 0.6729 -0.2516 0.110 Uiso 1 1 calc R . .
C35 C -0.2491(6) 0.5982(4) -0.2028(4) 0.0809(18) Uani 1 1 d . . .
H35A H -0.2484 0.5979 -0.2483 0.097 Uiso 1 1 calc R . .
C36 C -0.1653(6) 0.5537(4) -0.1328(4) 0.0786(18) Uani 1 1 d . . .
H36A H -0.1068 0.5245 -0.1305 0.094 Uiso 1 1 calc R . .
C37 C -0.1690(5) 0.5530(3) -0.0669(4) 0.0652(14) Uani 1 1 d . . .
H37A H -0.1138 0.5212 -0.0211 0.078 Uiso 1 1 calc R . .


_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 N1 2.125(4) . ?
Cu1 N2 2.129(4) . ?
Cu1 P1 2.2290(14) . ?
Cu1 P2 2.2605(13) 3_465 ?
Cl1 O2 1.249(9) . ?
Cl1 O1 1.273(6) . ?
Cl1 O4 1.331(8) . ?
Cl1 O3 1.416(5) . ?
P1 C20 1.822(5) . ?
P1 C14 1.825(4) . ?
P1 C10 1.838(4) . ?
P2 C32 1.814(5) . ?
P2 C26 1.820(5) . ?
P2 C13 1.833(4) . ?
P2 Cu1 2.2605(13) 3_465 ?
F1 C9 1.318(8) . ?
F2 C9 1.328(9) . ?
F3 C9 1.337(8) . ?
N1 C1 1.336(6) . ?
N1 C5 1.348(6) . ?
N2 N3 1.341(6) . ?
N2 C6 1.347(6) . ?
N3 C8 1.365(7) . ?
N3 H3B 0.8600 . ?
C1 C2 1.374(7) . ?
C1 H1A 0.9300 . ?
C2 C3 1.350(9) . ?
C2 H2B 0.9300 . ?
C3 C4 1.384(8) . ?
C3 H3C 0.9300 . ?
C4 C5 1.389(6) . ?
C4 H4A 0.9300 . ?
C5 C6 1.469(7) . ?
C6 C7 1.386(8) . ?
C7 C8 1.378(8) . ?
C7 H7A 0.9300 . ?
C8 C9 1.452(9) . ?
C10 C11 1.524(6) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.543(6) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C13 1.507(6) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C19 1.375(7) . ?
C14 C15 1.377(7) . ?
C15 C16 1.408(8) . ?
C15 H15A 0.9300 . ?
C16 C17 1.323(10) . ?
C16 H16A 0.9300 . ?
C17 C18 1.369(10) . ?
C17 H17A 0.9300 . ?
C18 C19 1.382(8) . ?
C18 H18A 0.9300 . ?
C19 H19A 0.9300 . ?
C20 C25 1.388(7) . ?
C20 C21 1.395(7) . ?
C21 C22 1.379(8) . ?
C21 H21A 0.9300 . ?
C22 C23 1.389(11) . ?
C22 H22A 0.9300 . ?
C23 C24 1.382(10) . ?
C23 H23A 0.9300 . ?
C24 C25 1.384(8) . ?
C24 H24A 0.9300 . ?
C25 H25A 0.9300 . ?
C26 C27 1.359(7) . ?
C26 C31 1.408(7) . ?
C27 C28 1.384(9) . ?
C27 H27A 0.9300 . ?
C28 C29 1.335(10) . ?
C28 H28A 0.9300 . ?
C29 C30 1.396(10) . ?
C29 H29A 0.9300 . ?
C30 C31 1.362(8) . ?
C30 H30A 0.9300 . ?
C31 H31A 0.9300 . ?
C32 C37 1.373(6) . ?
C32 C33 1.410(7) . ?
C33 C34 1.392(8) . ?
C33 H33A 0.9300 . ?
C34 C35 1.366(9) . ?
C34 H34A 0.9300 . ?
C35 C36 1.381(9) . ?
C35 H35A 0.9300 . ?
C36 C37 1.371(7) . ?
C36 H36A 0.9300 . ?
C37 H37A 0.9300 . ?

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
N1 Cu1 N2 78.15(15) . . ?
N1 Cu1 P1 116.48(11) . . ?
N2 Cu1 P1 122.96(11) . . ?
N1 Cu1 P2 105.82(10) . 3_465 ?
N2 Cu1 P2 104.38(11) . 3_465 ?
P1 Cu1 P2 120.63(5) . 3_465 ?
O2 Cl1 O1 110.2(9) . . ?
O2 Cl1 O4 104.1(10) . . ?
O1 Cl1 O4 106.0(8) . . ?
O2 Cl1 O3 113.4(6) . . ?
O1 Cl1 O3 114.7(5) . . ?
O4 Cl1 O3 107.7(5) . . ?
C20 P1 C14 104.7(2) . . ?
C20 P1 C10 103.3(2) . . ?
C14 P1 C10 104.4(2) . . ?
C20 P1 Cu1 109.05(15) . . ?
C14 P1 Cu1 115.50(16) . . ?
C10 P1 Cu1 118.50(15) . . ?
C32 P2 C26 104.1(2) . . ?
C32 P2 C13 104.7(2) . . ?
C26 P2 C13 107.5(2) . . ?
C32 P2 Cu1 116.30(16) . 3_465 ?
C26 P2 Cu1 107.67(15) . 3_465 ?
C13 P2 Cu1 115.72(14) . 3_465 ?
C1 N1 C5 117.4(4) . . ?
C1 N1 Cu1 127.9(4) . . ?
C5 N1 Cu1 114.2(3) . . ?
N3 N2 C6 104.9(4) . . ?
N3 N2 Cu1 141.2(3) . . ?
C6 N2 Cu1 113.1(3) . . ?
N2 N3 C8 111.7(4) . . ?
N2 N3 H3B 124.2 . . ?
C8 N3 H3B 124.2 . . ?
N1 C1 C2 123.2(6) . . ?
N1 C1 H1A 118.4 . . ?
C2 C1 H1A 118.4 . . ?
C3 C2 C1 119.7(6) . . ?
C3 C2 H2B 120.1 . . ?
C1 C2 H2B 120.1 . . ?
C2 C3 C4 118.4(5) . . ?
C2 C3 H3C 120.8 . . ?
C4 C3 H3C 120.8 . . ?
C3 C4 C5 119.5(6) . . ?
C3 C4 H4A 120.2 . . ?
C5 C4 H4A 120.2 . . ?
N1 C5 C4 121.5(5) . . ?
N1 C5 C6 115.8(4) . . ?
C4 C5 C6 122.7(5) . . ?
N2 C6 C7 111.6(5) . . ?
N2 C6 C5 117.7(4) . . ?
C7 C6 C5 130.7(4) . . ?
C8 C7 C6 105.0(5) . . ?
C8 C7 H7A 127.5 . . ?
C6 C7 H7A 127.5 . . ?
N3 C8 C7 106.8(5) . . ?
N3 C8 C9 122.6(5) . . ?
C7 C8 C9 130.6(6) . . ?
F1 C9 F2 106.0(7) . . ?
F1 C9 F3 106.7(7) . . ?
F2 C9 F3 104.0(6) . . ?
F1 C9 C8 112.1(6) . . ?
F2 C9 C8 113.5(7) . . ?
F3 C9 C8 113.7(6) . . ?
C11 C10 P1 113.3(3) . . ?
C11 C10 H10A 108.9 . . ?
P1 C10 H10A 108.9 . . ?
C11 C10 H10B 108.9 . . ?
P1 C10 H10B 108.9 . . ?
H10A C10 H10B 107.7 . . ?
C10 C11 C12 112.5(4) . . ?
C10 C11 H11A 109.1 . . ?
C12 C11 H11A 109.1 . . ?
C10 C11 H11B 109.1 . . ?
C12 C11 H11B 109.1 . . ?
H11A C11 H11B 107.8 . . ?
C13 C12 C11 113.3(4) . . ?
C13 C12 H12A 108.9 . . ?
C11 C12 H12A 108.9 . . ?
C13 C12 H12B 108.9 . . ?
C11 C12 H12B 108.9 . . ?
H12A C12 H12B 107.7 . . ?
C12 C13 P2 119.3(3) . . ?
C12 C13 H13A 107.5 . . ?
P2 C13 H13A 107.5 . . ?
C12 C13 H13B 107.5 . . ?
P2 C13 H13B 107.5 . . ?
H13A C13 H13B 107.0 . . ?
C19 C14 C15 117.6(5) . . ?
C19 C14 P1 118.4(4) . . ?
C15 C14 P1 124.0(4) . . ?
C14 C15 C16 119.8(6) . . ?
C14 C15 H15A 120.1 . . ?
C16 C15 H15A 120.1 . . ?
C17 C16 C15 121.4(6) . . ?
C17 C16 H16A 119.3 . . ?
C15 C16 H16A 119.3 . . ?
C16 C17 C18 119.9(6) . . ?
C16 C17 H17A 120.0 . . ?
C18 C17 H17A 120.0 . . ?
C17 C18 C19 119.6(7) . . ?
C17 C18 H18A 120.2 . . ?
C19 C18 H18A 120.2 . . ?
C14 C19 C18 121.7(6) . . ?
C14 C19 H19A 119.1 . . ?
C18 C19 H19A 119.1 . . ?
C25 C20 C21 117.9(5) . . ?
C25 C20 P1 122.5(4) . . ?
C21 C20 P1 119.0(4) . . ?
C22 C21 C20 121.1(6) . . ?
C22 C21 H21A 119.5 . . ?
C20 C21 H21A 119.5 . . ?
C21 C22 C23 120.4(6) . . ?
C21 C22 H22A 119.8 . . ?
C23 C22 H22A 119.8 . . ?
C24 C23 C22 119.0(6) . . ?
C24 C23 H23A 120.5 . . ?
C22 C23 H23A 120.5 . . ?
C23 C24 C25 120.4(7) . . ?
C23 C24 H24A 119.8 . . ?
C25 C24 H24A 119.8 . . ?
C24 C25 C20 121.2(6) . . ?
C24 C25 H25A 119.4 . . ?
C20 C25 H25A 119.4 . . ?
C27 C26 C31 117.1(5) . . ?
C27 C26 P2 124.0(4) . . ?
C31 C26 P2 118.4(4) . . ?
C26 C27 C28 120.8(6) . . ?
C26 C27 H27A 119.6 . . ?
C28 C27 H27A 119.6 . . ?
C29 C28 C27 121.9(7) . . ?
C29 C28 H28A 119.1 . . ?
C27 C28 H28A 119.1 . . ?
C28 C29 C30 119.2(7) . . ?
C28 C29 H29A 120.4 . . ?
C30 C29 H29A 120.4 . . ?
C31 C30 C29 119.1(6) . . ?
C31 C30 H30A 120.4 . . ?
C29 C30 H30A 120.4 . . ?
C30 C31 C26 121.9(6) . . ?
C30 C31 H31A 119.0 . . ?
C26 C31 H31A 119.0 . . ?
C37 C32 C33 116.5(5) . . ?
C37 C32 P2 125.3(4) . . ?
C33 C32 P2 118.2(3) . . ?
C34 C33 C32 120.9(5) . . ?
C34 C33 H33A 119.6 . . ?
C32 C33 H33A 119.6 . . ?
C35 C34 C33 120.2(6) . . ?
C35 C34 H34A 119.9 . . ?
C33 C34 H34A 119.9 . . ?
C34 C35 C36 119.7(6) . . ?
C34 C35 H35A 120.1 . . ?
C36 C35 H35A 120.1 . . ?
C37 C36 C35 119.7(5) . . ?
C37 C36 H36A 120.2 . . ?
C35 C36 H36A 120.2 . . ?
C36 C37 C32 123.0(6) . . ?
C36 C37 H37A 118.5 . . ?
C32 C37 H37A 118.5 . . ?

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
N1 Cu1 P1 C20 -56.2(2) . . . . ?
N2 Cu1 P1 C20 -149.0(2) . . . . ?
P2 Cu1 P1 C20 74.30(17) 3_465 . . . ?
N1 Cu1 P1 C14 61.3(2) . . . . ?
N2 Cu1 P1 C14 -31.5(2) . . . . ?
P2 Cu1 P1 C14 -168.21(17) 3_465 . . . ?
N1 Cu1 P1 C10 -173.8(2) . . . . ?
N2 Cu1 P1 C10 93.4(2) . . . . ?
P2 Cu1 P1 C10 -43.32(18) 3_465 . . . ?
N2 Cu1 N1 C1 178.5(4) . . . . ?
P1 Cu1 N1 C1 57.5(4) . . . . ?
P2 Cu1 N1 C1 -79.7(4) 3_465 . . . ?
N2 Cu1 N1 C5 -9.3(3) . . . . ?
P1 Cu1 N1 C5 -130.4(3) . . . . ?
P2 Cu1 N1 C5 92.5(3) 3_465 . . . ?
N1 Cu1 N2 N3 176.6(5) . . . . ?
P1 Cu1 N2 N3 -69.4(5) . . . . ?
P2 Cu1 N2 N3 73.1(5) 3_465 . . . ?
N1 Cu1 N2 C6 8.4(3) . . . . ?
P1 Cu1 N2 C6 122.4(3) . . . . ?
P2 Cu1 N2 C6 -95.1(3) 3_465 . . . ?
C6 N2 N3 C8 0.2(5) . . . . ?
Cu1 N2 N3 C8 -168.5(4) . . . . ?
C5 N1 C1 C2 1.0(7) . . . . ?
Cu1 N1 C1 C2 172.9(4) . . . . ?
N1 C1 C2 C3 -3.6(9) . . . . ?
C1 C2 C3 C4 2.6(10) . . . . ?
C2 C3 C4 C5 0.7(9) . . . . ?
C1 N1 C5 C4 2.6(7) . . . . ?
Cu1 N1 C5 C4 -170.5(4) . . . . ?
C1 N1 C5 C6 -178.3(4) . . . . ?
Cu1 N1 C5 C6 8.7(5) . . . . ?
C3 C4 C5 N1 -3.4(8) . . . . ?
C3 C4 C5 C6 177.4(5) . . . . ?
N3 N2 C6 C7 -0.4(5) . . . . ?
Cu1 N2 C6 C7 172.0(4) . . . . ?
N3 N2 C6 C5 -179.1(4) . . . . ?
Cu1 N2 C6 C5 -6.7(5) . . . . ?
N1 C5 C6 N2 -1.3(6) . . . . ?
C4 C5 C6 N2 177.8(5) . . . . ?
N1 C5 C6 C7 -179.7(5) . . . . ?
C4 C5 C6 C7 -0.6(9) . . . . ?
N2 C6 C7 C8 0.3(6) . . . . ?
C5 C6 C7 C8 178.8(5) . . . . ?
N2 N3 C8 C7 0.0(6) . . . . ?
N2 N3 C8 C9 179.5(6) . . . . ?
C6 C7 C8 N3 -0.2(6) . . . . ?
C6 C7 C8 C9 -179.6(7) . . . . ?
N3 C8 C9 F1 177.5(6) . . . . ?
C7 C8 C9 F1 -3.1(12) . . . . ?
N3 C8 C9 F2 -62.3(9) . . . . ?
C7 C8 C9 F2 117.1(8) . . . . ?
N3 C8 C9 F3 56.4(10) . . . . ?
C7 C8 C9 F3 -124.2(7) . . . . ?
C20 P1 C10 C11 172.3(3) . . . . ?
C14 P1 C10 C11 63.1(4) . . . . ?
Cu1 P1 C10 C11 -67.1(4) . . . . ?
P1 C10 C11 C12 178.5(3) . . . . ?
C10 C11 C12 C13 -70.0(6) . . . . ?
C11 C12 C13 P2 -176.3(4) . . . . ?
C32 P2 C13 C12 46.0(5) . . . . ?
C26 P2 C13 C12 -64.3(5) . . . . ?
Cu1 P2 C13 C12 175.4(4) 3_465 . . . ?
C20 P1 C14 C19 108.6(5) . . . . ?
C10 P1 C14 C19 -143.2(5) . . . . ?
Cu1 P1 C14 C19 -11.3(5) . . . . ?
C20 P1 C14 C15 -72.4(5) . . . . ?
C10 P1 C14 C15 35.8(5) . . . . ?
Cu1 P1 C14 C15 167.7(5) . . . . ?
C19 C14 C15 C16 3.0(10) . . . . ?
P1 C14 C15 C16 -176.0(6) . . . . ?
C14 C15 C16 C17 -2.0(13) . . . . ?
C15 C16 C17 C18 0.3(14) . . . . ?
C16 C17 C18 C19 0.4(13) . . . . ?
C15 C14 C19 C18 -2.3(10) . . . . ?
P1 C14 C19 C18 176.7(6) . . . . ?
C17 C18 C19 C14 0.7(12) . . . . ?
C14 P1 C20 C25 140.7(4) . . . . ?
C10 P1 C20 C25 31.7(5) . . . . ?
Cu1 P1 C20 C25 -95.2(4) . . . . ?
C14 P1 C20 C21 -48.5(4) . . . . ?
C10 P1 C20 C21 -157.5(4) . . . . ?
Cu1 P1 C20 C21 75.7(4) . . . . ?
C25 C20 C21 C22 0.1(8) . . . . ?
P1 C20 C21 C22 -171.1(5) . . . . ?
C20 C21 C22 C23 -0.2(10) . . . . ?
C21 C22 C23 C24 -0.4(12) . . . . ?
C22 C23 C24 C25 1.1(12) . . . . ?
C23 C24 C25 C20 -1.2(10) . . . . ?
C21 C20 C25 C24 0.6(8) . . . . ?
P1 C20 C25 C24 171.5(5) . . . . ?
C32 P2 C26 C27 -138.3(5) . . . . ?
C13 P2 C26 C27 -27.6(5) . . . . ?
Cu1 P2 C26 C27 97.7(5) 3_465 . . . ?
C32 P2 C26 C31 50.7(4) . . . . ?
C13 P2 C26 C31 161.4(4) . . . . ?
Cu1 P2 C26 C31 -73.3(4) 3_465 . . . ?
C31 C26 C27 C28 -0.6(9) . . . . ?
P2 C26 C27 C28 -171.7(5) . . . . ?
C26 C27 C28 C29 0.2(12) . . . . ?
C27 C28 C29 C30 -0.2(12) . . . . ?
C28 C29 C30 C31 0.5(10) . . . . ?
C29 C30 C31 C26 -0.8(9) . . . . ?
C27 C26 C31 C30 0.9(8) . . . . ?
P2 C26 C31 C30 172.5(4) . . . . ?
C26 P2 C32 C37 31.2(5) . . . . ?
C13 P2 C32 C37 -81.5(5) . . . . ?
Cu1 P2 C32 C37 149.5(4) 3_465 . . . ?
C26 P2 C32 C33 -149.4(4) . . . . ?
C13 P2 C32 C33 97.9(4) . . . . ?
Cu1 P2 C32 C33 -31.2(5) 3_465 . . . ?
C37 C32 C33 C34 -1.0(8) . . . . ?
P2 C32 C33 C34 179.6(5) . . . . ?
C32 C33 C34 C35 0.4(11) . . . . ?
C33 C34 C35 C36 -0.6(11) . . . . ?
C34 C35 C36 C37 1.6(10) . . . . ?
C35 C36 C37 C32 -2.3(10) . . . . ?
C33 C32 C37 C36 2.0(8) . . . . ?
P2 C32 C37 C36 -178.6(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         1.010
_refine_diff_density_min         -0.775
_refine_diff_density_rms         0.188
#===END  
####################################################################### 
# 
# 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_b
_database_code_depnum_ccdc_archive 'CCDC 1435454'
_audit_update_record             
;
2015-11-06 deposited with the CCDC.
2015-11-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C74 H66 Cl0 Cu2 F6 N6 P4'
_chemical_formula_weight         1404.29

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'
Cl Cl 0.1484 0.1585 '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'
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pbca

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

_cell_length_a                   19.5768(11)
_cell_length_b                   22.4465(13)
_cell_length_c                   31.3999(19)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     13798.1(14)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.19
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.352
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5792
_exptl_absorpt_coefficient_mu    0.772
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.8485
_exptl_absorpt_correction_T_max  0.8672
_exptl_absorpt_process_details   CrystalClear

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'D8 QUEST'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            335196
_diffrn_reflns_av_R_equivalents  0.0833
_diffrn_reflns_av_sigmaI/netI    0.0412
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_theta_min         2.84
_diffrn_reflns_theta_max         27.57
_reflns_number_total             15908
_reflns_number_gt                9641
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalClear
_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)+(0.0463P)²+16.5839P] 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         15908
_refine_ls_number_parameters     829
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1218
_refine_ls_R_factor_gt           0.0598
_refine_ls_wR_factor_ref         0.1476
_refine_ls_wR_factor_gt          0.1171
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_restrained_S_all      1.108
_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
Cu1 Cu 0.62716(2) 0.264242(19) -0.482011(13) 0.04666(13) Uani 1 1 d . . .
Cu2 Cu 0.84812(2) 0.353724(19) -0.285500(13) 0.04472(12) Uani 1 1 d . . .
P1 P 0.72751(5) 0.28593(4) -0.51316(3) 0.0439(2) Uani 1 1 d . . .
P4 P 0.73867(5) 0.34389(4) -0.26556(3) 0.0456(2) Uani 1 1 d . . .
P3 P 0.86284(5) 0.42357(4) -0.33526(3) 0.0425(2) Uani 1 1 d . . .
P2 P 0.62694(5) 0.18609(4) -0.43839(3) 0.0462(2) Uani 1 1 d . . .
F1 F 0.5961(2) 0.47849(14) -0.37742(13) 0.1325(14) Uani 1 1 d . . .
F2 F 0.5162(2) 0.51635(14) -0.41111(14) 0.1421(15) Uani 1 1 d . . .
F3 F 0.6151(2) 0.52169(14) -0.43558(14) 0.1534(18) Uani 1 1 d . . .
F4 F 0.9731(3) 0.08918(14) -0.29059(13) 0.1487(16) Uani 1 1 d . . .
F5 F 1.00321(19) 0.13148(15) -0.34580(13) 0.1289(13) Uani 1 1 d . . .
F6 F 0.90160(19) 0.10887(15) -0.33901(14) 0.1378(15) Uani 1 1 d . . .
N1 N 0.54270(17) 0.27099(15) -0.52301(10) 0.0565(8) Uani 1 1 d . . .
N2 N 0.58346(16) 0.33969(13) -0.45883(9) 0.0503(7) Uani 1 1 d . . .
N3 N 0.60266(18) 0.38252(14) -0.43147(10) 0.0567(8) Uani 1 1 d . . .
N4 N 0.91562(15) 0.36323(14) -0.23242(9) 0.0507(8) Uani 1 1 d . . .
N5 N 0.89909(15) 0.27576(13) -0.28964(9) 0.0470(7) Uani 1 1 d . . .
N6 N 0.89776(17) 0.22739(14) -0.31510(10) 0.0543(8) Uani 1 1 d . . .
C1 C 0.5239(2) 0.2339(2) -0.55479(14) 0.0732(13) Uani 1 1 d . . .
H1A H 0.5485 0.1989 -0.5587 0.088 Uiso 1 1 calc R . .
C2 C 0.4706(3) 0.2456(3) -0.58127(16) 0.0915(17) Uani 1 1 d . . .
H2A H 0.4596 0.2193 -0.6031 0.110 Uiso 1 1 calc R . .
C3 C 0.4340(3) 0.2958(3) -0.57537(18) 0.0951(18) Uani 1 1 d . . .
H3B H 0.3973 0.3043 -0.5932 0.114 Uiso 1 1 calc R . .
C4 C 0.4507(2) 0.3341(2) -0.54331(16) 0.0768(14) Uani 1 1 d . . .
H4A H 0.4252 0.3685 -0.5389 0.092 Uiso 1 1 calc R . .
C5 C 0.5063(2) 0.32117(19) -0.51711(13) 0.0570(10) Uani 1 1 d . . .
C6 C 0.53109(19) 0.35956(17) -0.48312(12) 0.0529(9) Uani 1 1 d . . .
C7 C 0.5158(2) 0.41746(18) -0.47102(15) 0.0650(12) Uani 1 1 d . . .
H7A H 0.4821 0.4424 -0.4819 0.078 Uiso 1 1 calc R . .
C8 C 0.5618(2) 0.42930(17) -0.43920(14) 0.0614(11) Uani 1 1 d . . .
C9 C 0.5722(3) 0.4852(2) -0.4163(2) 0.0857(15) Uani 1 1 d . . .
C10 C 0.7298(2) 0.35206(16) -0.54761(11) 0.0486(9) Uani 1 1 d . . .
C11 C 0.6753(2) 0.3897(2) -0.54842(16) 0.0795(14) Uani 1 1 d . . .
H11A H 0.6370 0.3809 -0.5321 0.095 Uiso 1 1 calc R . .
C12 C 0.6757(3) 0.4410(3) -0.57304(19) 0.105(2) Uani 1 1 d . . .
H12A H 0.6378 0.4660 -0.5734 0.126 Uiso 1 1 calc R . .
C13 C 0.7313(3) 0.4543(2) -0.59654(16) 0.0903(16) Uani 1 1 d . . .
H13A H 0.7318 0.4887 -0.6131 0.108 Uiso 1 1 calc R . .
C14 C 0.7864(3) 0.4180(2) -0.59609(14) 0.0769(14) Uani 1 1 d . . .
H14A H 0.8247 0.4274 -0.6122 0.092 Uiso 1 1 calc R . .
C15 C 0.7858(2) 0.36688(19) -0.57172(13) 0.0656(11) Uani 1 1 d . . .
H15A H 0.8238 0.3421 -0.5716 0.079 Uiso 1 1 calc R . .
C16 C 0.76357(18) 0.22843(15) -0.54742(11) 0.0451(8) Uani 1 1 d . . .
C17 C 0.8252(2) 0.2016(2) -0.54110(15) 0.0773(14) Uani 1 1 d . . .
H17A H 0.8524 0.2135 -0.5184 0.093 Uiso 1 1 calc R . .
C18 C 0.8481(3) 0.1566(2) -0.56801(18) 0.0920(17) Uani 1 1 d . . .
H18A H 0.8903 0.1389 -0.5631 0.110 Uiso 1 1 calc R . .
C19 C 0.8097(3) 0.1387(2) -0.60110(16) 0.0775(14) Uani 1 1 d . . .
H19A H 0.8248 0.1081 -0.6187 0.093 Uiso 1 1 calc R . .
C20 C 0.7490(3) 0.1654(2) -0.60856(15) 0.0838(15) Uani 1 1 d . . .
H20A H 0.7227 0.1539 -0.6318 0.101 Uiso 1 1 calc R . .
C21 C 0.7261(2) 0.2096(2) -0.58187(14) 0.0723(13) Uani 1 1 d . . .
H21A H 0.6840 0.2273 -0.5873 0.087 Uiso 1 1 calc R . .
C22 C 0.5491(2) 0.17319(16) -0.40738(12) 0.0502(9) Uani 1 1 d . . .
C23 C 0.4940(2) 0.21032(19) -0.41243(14) 0.0616(11) Uani 1 1 d . . .
H23A H 0.4945 0.2392 -0.4336 0.074 Uiso 1 1 calc R . .
C24 C 0.4378(2) 0.2048(2) -0.38602(16) 0.0751(13) Uani 1 1 d . . .
H24A H 0.4006 0.2302 -0.3894 0.090 Uiso 1 1 calc R . .
C25 C 0.4367(2) 0.1624(3) -0.35507(17) 0.0828(15) Uani 1 1 d . . .
H25A H 0.3989 0.1590 -0.3374 0.099 Uiso 1 1 calc R . .
C26 C 0.4906(3) 0.1252(2) -0.34992(16) 0.0820(14) Uani 1 1 d . . .
H26A H 0.4894 0.0960 -0.3289 0.098 Uiso 1 1 calc R . .
C27 C 0.5468(2) 0.1306(2) -0.37562(14) 0.0684(12) Uani 1 1 d . . .
H27A H 0.5839 0.1053 -0.3717 0.082 Uiso 1 1 calc R . .
C28 C 0.6469(2) 0.11333(17) -0.46003(12) 0.0596(11) Uani 1 1 d . . .
C29 C 0.5970(3) 0.0749(2) -0.47302(18) 0.1007(18) Uani 1 1 d . . .
H29A H 0.5514 0.0852 -0.4694 0.121 Uiso 1 1 calc R . .
C30 C 0.6135(5) 0.0210(3) -0.4915(2) 0.129(3) Uani 1 1 d . . .
H30A H 0.5787 -0.0051 -0.4990 0.155 Uiso 1 1 calc R . .
C31 C 0.6779(6) 0.0056(3) -0.4986(2) 0.127(3) Uani 1 1 d . . .
H31A H 0.6881 -0.0301 -0.5122 0.153 Uiso 1 1 calc R . .
C32 C 0.7271(5) 0.0417(4) -0.4862(3) 0.165(4) Uani 1 1 d . . .
H32A H 0.7723 0.0308 -0.4906 0.197 Uiso 1 1 calc R . .
C33 C 0.7123(3) 0.0960(3) -0.4666(2) 0.131(3) Uani 1 1 d . . .
H33A H 0.7479 0.1206 -0.4579 0.157 Uiso 1 1 calc R . .
C34 C 0.9231(2) 0.4083(2) -0.20545(13) 0.0638(11) Uani 1 1 d . . .
H34A H 0.8997 0.4435 -0.2108 0.077 Uiso 1 1 calc R . .
C35 C 0.9642(2) 0.4050(3) -0.16990(14) 0.0768(14) Uani 1 1 d . . .
H35A H 0.9682 0.4373 -0.1516 0.092 Uiso 1 1 calc R . .
C36 C 0.9989(2) 0.3535(3) -0.16202(14) 0.0797(14) Uani 1 1 d . . .
H36A H 1.0267 0.3503 -0.1381 0.096 Uiso 1 1 calc R . .
C37 C 0.9924(2) 0.3071(2) -0.18950(13) 0.0643(11) Uani 1 1 d . . .
H37A H 1.0158 0.2717 -0.1844 0.077 Uiso 1 1 calc R . .
C38 C 0.95073(18) 0.31235(18) -0.22508(11) 0.0480(9) Uani 1 1 d . . .
C39 C 0.94200(18) 0.26559(17) -0.25640(11) 0.0484(9) Uani 1 1 d . . .
C40 C 0.9690(2) 0.20928(18) -0.26032(14) 0.0600(10) Uani 1 1 d . . .
H40A H 0.9999 0.1903 -0.2424 0.072 Uiso 1 1 calc R . .
C41 C 0.9399(2) 0.18769(17) -0.29688(13) 0.0554(10) Uani 1 1 d . . .
C42 C 0.9525(3) 0.1299(2) -0.31760(19) 0.0831(15) Uani 1 1 d . . .
C43 C 0.84500(19) 0.49835(16) -0.31549(11) 0.0469(8) Uani 1 1 d . . .
C44 C 0.8899(2) 0.52480(18) -0.28752(13) 0.0621(11) Uani 1 1 d . . .
H44A H 0.9309 0.5058 -0.2812 0.074 Uiso 1 1 calc R . .
C45 C 0.8752(3) 0.5789(2) -0.26875(16) 0.0827(15) Uani 1 1 d . . .
H45A H 0.9064 0.5960 -0.2501 0.099 Uiso 1 1 calc R . .
C46 C 0.8159(3) 0.6072(2) -0.27732(17) 0.0870(16) Uani 1 1 d . . .
H46A H 0.8064 0.6437 -0.2646 0.104 Uiso 1 1 calc R . .
C47 C 0.7707(3) 0.5825(2) -0.30437(17) 0.0841(15) Uani 1 1 d . . .
H47A H 0.7298 0.6020 -0.3102 0.101 Uiso 1 1 calc R . .
C48 C 0.7844(2) 0.52817(19) -0.32354(14) 0.0663(11) Uani 1 1 d . . .
H48A H 0.7525 0.5115 -0.3420 0.080 Uiso 1 1 calc R . .
C49 C 0.94942(19) 0.43032(16) -0.35669(11) 0.0480(9) Uani 1 1 d . . .
C50 C 0.9990(2) 0.3910(2) -0.34419(14) 0.0732(13) Uani 1 1 d . . .
H50A H 0.9887 0.3619 -0.3242 0.088 Uiso 1 1 calc R . .
C51 C 1.0637(3) 0.3942(3) -0.36089(18) 0.0990(18) Uani 1 1 d . . .
H51A H 1.0967 0.3670 -0.3521 0.119 Uiso 1 1 calc R . .
C52 C 1.0801(3) 0.4361(3) -0.38975(18) 0.0919(16) Uani 1 1 d . . .
H52A H 1.1239 0.4380 -0.4011 0.110 Uiso 1 1 calc R . .
C53 C 1.0317(3) 0.4756(3) -0.4021(2) 0.108(2) Uani 1 1 d . . .
H53A H 1.0427 0.5052 -0.4217 0.130 Uiso 1 1 calc R . .
C54 C 0.9668(3) 0.4726(2) -0.38593(17) 0.0871(16) Uani 1 1 d . . .
H54A H 0.9340 0.4997 -0.3951 0.105 Uiso 1 1 calc R . .
C55 C 0.71417(19) 0.28673(17) -0.22664(11) 0.0498(9) Uani 1 1 d . . .
C56 C 0.7625(2) 0.2473(2) -0.21211(14) 0.0702(12) Uani 1 1 d . . .
H56A H 0.8077 0.2511 -0.2210 0.084 Uiso 1 1 calc R . .
C57 C 0.7447(3) 0.2024(2) -0.18459(17) 0.0910(16) Uani 1 1 d . . .
H57A H 0.7777 0.1755 -0.1754 0.109 Uiso 1 1 calc R . .
C58 C 0.6794(3) 0.1969(2) -0.17064(15) 0.0821(14) Uani 1 1 d . . .
H58A H 0.6678 0.1668 -0.1516 0.098 Uiso 1 1 calc R . .
C59 C 0.6308(2) 0.2357(2) -0.18474(15) 0.0767(13) Uani 1 1 d . . .
H59A H 0.5860 0.2321 -0.1753 0.092 Uiso 1 1 calc R . .
C60 C 0.6479(2) 0.2802(2) -0.21281(13) 0.0649(11) Uani 1 1 d . . .
H60A H 0.6144 0.3061 -0.2226 0.078 Uiso 1 1 calc R . .
C61 C 0.6966(2) 0.41110(17) -0.24616(12) 0.0526(9) Uani 1 1 d . . .
C62 C 0.7332(3) 0.4489(2) -0.22076(14) 0.0810(14) Uani 1 1 d . . .
H62A H 0.7771 0.4384 -0.2125 0.097 Uiso 1 1 calc R . .
C63 C 0.7061(4) 0.5027(3) -0.20700(18) 0.106(2) Uani 1 1 d . . .
H63A H 0.7324 0.5284 -0.1906 0.127 Uiso 1 1 calc R . .
C64 C 0.6417(4) 0.5175(3) -0.2176(2) 0.107(2) Uani 1 1 d . . .
H64A H 0.6228 0.5529 -0.2077 0.128 Uiso 1 1 calc R . .
C65 C 0.6045(3) 0.4809(3) -0.2425(2) 0.111(2) Uani 1 1 d . . .
H65A H 0.5602 0.4916 -0.2501 0.133 Uiso 1 1 calc R . .
C66 C 0.6314(3) 0.4281(2) -0.25697(19) 0.0876(16) Uani 1 1 d . . .
H66A H 0.6051 0.4035 -0.2743 0.105 Uiso 1 1 calc R . .
C67 C 0.6885(2) 0.19612(17) -0.39503(11) 0.0525(9) Uani 1 1 d . . .
H67A H 0.6889 0.1612 -0.3769 0.063 Uiso 1 1 calc R . .
H67B H 0.7340 0.2017 -0.4065 0.063 Uiso 1 1 calc R . .
C68 C 0.6673(2) 0.25063(19) -0.36945(13) 0.0598(10) Uani 1 1 d . . .
H68A H 0.6643 0.2843 -0.3887 0.072 Uiso 1 1 calc R . .
H68B H 0.6219 0.2437 -0.3581 0.072 Uiso 1 1 calc R . .
C69 C 0.7135(2) 0.26710(18) -0.33339(12) 0.0565(10) Uani 1 1 d . . .
H69A H 0.7591 0.2749 -0.3442 0.068 Uiso 1 1 calc R . .
H69B H 0.7163 0.2343 -0.3133 0.068 Uiso 1 1 calc R . .
C70 C 0.6861(2) 0.32221(17) -0.31102(11) 0.0517(9) Uani 1 1 d . . .
H70A H 0.6399 0.3145 -0.3013 0.062 Uiso 1 1 calc R . .
H70B H 0.6844 0.3549 -0.3312 0.062 Uiso 1 1 calc R . .
C71 C 0.7960(2) 0.30272(17) -0.47513(11) 0.0532(9) Uani 1 1 d . . .
H71A H 0.8051 0.2677 -0.4579 0.064 Uiso 1 1 calc R . .
H71B H 0.8374 0.3125 -0.4906 0.064 Uiso 1 1 calc R . .
C72 C 0.7773(2) 0.35425(17) -0.44626(12) 0.0543(9) Uani 1 1 d . . .
H72A H 0.7331 0.3464 -0.4334 0.065 Uiso 1 1 calc R . .
H72B H 0.7731 0.3901 -0.4633 0.065 Uiso 1 1 calc R . .
C73 C 0.8294(2) 0.36492(17) -0.41112(11) 0.0522(9) Uani 1 1 d . . .
H73A H 0.8322 0.3298 -0.3932 0.063 Uiso 1 1 calc R . .
H73B H 0.8740 0.3713 -0.4238 0.063 Uiso 1 1 calc R . .
C74 C 0.81076(19) 0.41839(16) -0.38388(11) 0.0494(9) Uani 1 1 d . . .
H74A H 0.7630 0.4157 -0.3760 0.059 Uiso 1 1 calc R . .
H74B H 0.8168 0.4544 -0.4005 0.059 Uiso 1 1 calc R . .


_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 N2 2.032(3) . ?
Cu1 N1 2.101(3) . ?
Cu1 P2 2.2257(10) . ?
Cu1 P1 2.2481(10) . ?
Cu2 N5 2.019(3) . ?
Cu2 N4 2.138(3) . ?
Cu2 P3 2.2320(10) . ?
Cu2 P4 2.2432(10) . ?
P1 C16 1.823(4) . ?
P1 C71 1.834(4) . ?
P1 C10 1.837(4) . ?
P4 C61 1.823(4) . ?
P4 C70 1.825(4) . ?
P4 C55 1.836(4) . ?
P3 C43 1.824(4) . ?
P3 C49 1.830(4) . ?
P3 C74 1.839(3) . ?
P2 C28 1.812(4) . ?
P2 C67 1.832(4) . ?
P2 C22 1.832(4) . ?
F1 C9 1.317(6) . ?
F2 C9 1.310(6) . ?
F3 C9 1.319(6) . ?
F4 C42 1.311(6) . ?
F5 C42 1.330(6) . ?
F6 C42 1.292(6) . ?
N1 C5 1.345(5) . ?
N1 C1 1.350(5) . ?
N2 N3 1.343(4) . ?
N2 C6 1.353(5) . ?
N3 C8 1.342(5) . ?
N4 C34 1.327(5) . ?
N4 C38 1.353(5) . ?
N5 N6 1.349(4) . ?
N5 C39 1.359(4) . ?
N6 C41 1.342(5) . ?
C1 C2 1.359(7) . ?
C1 H1A 0.9300 . ?
C2 C3 1.348(8) . ?
C2 H2A 0.9300 . ?
C3 C4 1.364(7) . ?
C3 H3B 0.9300 . ?
C4 C5 1.395(6) . ?
C4 H4A 0.9300 . ?
C5 C6 1.455(6) . ?
C6 C7 1.387(5) . ?
C7 C8 1.372(6) . ?
C7 H7A 0.9300 . ?
C8 C9 1.460(6) . ?
C10 C11 1.361(6) . ?
C10 C15 1.373(5) . ?
C11 C12 1.387(6) . ?
C11 H11A 0.9300 . ?
C12 C13 1.350(7) . ?
C12 H12A 0.9300 . ?
C13 C14 1.353(7) . ?
C13 H13A 0.9300 . ?
C14 C15 1.379(6) . ?
C14 H14A 0.9300 . ?
C15 H15A 0.9300 . ?
C16 C17 1.363(5) . ?
C16 C21 1.374(5) . ?
C17 C18 1.390(6) . ?
C17 H17A 0.9300 . ?
C18 C19 1.345(7) . ?
C18 H18A 0.9300 . ?
C19 C20 1.352(6) . ?
C19 H19A 0.9300 . ?
C20 C21 1.374(6) . ?
C20 H20A 0.9300 . ?
C21 H21A 0.9300 . ?
C22 C23 1.372(5) . ?
C22 C27 1.382(5) . ?
C23 C24 1.383(6) . ?
C23 H23A 0.9300 . ?
C24 C25 1.361(7) . ?
C24 H24A 0.9300 . ?
C25 C26 1.356(7) . ?
C25 H25A 0.9300 . ?
C26 C27 1.370(6) . ?
C26 H26A 0.9300 . ?
C27 H27A 0.9300 . ?
C28 C33 1.354(7) . ?
C28 C29 1.365(7) . ?
C29 C30 1.379(8) . ?
C29 H29A 0.9300 . ?
C30 C31 1.326(10) . ?
C30 H30A 0.9300 . ?
C31 C32 1.317(11) . ?
C31 H31A 0.9300 . ?
C32 C33 1.397(9) . ?
C32 H32A 0.9300 . ?
C33 H33A 0.9300 . ?
C34 C35 1.377(6) . ?
C34 H34A 0.9300 . ?
C35 C36 1.362(7) . ?
C35 H35A 0.9300 . ?
C36 C37 1.360(6) . ?
C36 H36A 0.9300 . ?
C37 C38 1.388(5) . ?
C37 H37A 0.9300 . ?
C38 C39 1.448(5) . ?
C39 C40 1.376(5) . ?
C40 C41 1.371(6) . ?
C40 H40A 0.9300 . ?
C41 C42 1.472(6) . ?
C43 C44 1.378(5) . ?
C43 C48 1.386(5) . ?
C44 C45 1.381(6) . ?
C44 H44A 0.9300 . ?
C45 C46 1.350(7) . ?
C45 H45A 0.9300 . ?
C46 C47 1.347(7) . ?
C46 H46A 0.9300 . ?
C47 C48 1.386(6) . ?
C47 H47A 0.9300 . ?
C48 H48A 0.9300 . ?
C49 C54 1.363(6) . ?
C49 C50 1.368(5) . ?
C50 C51 1.374(6) . ?
C50 H50A 0.9300 . ?
C51 C52 1.345(7) . ?
C51 H51A 0.9300 . ?
C52 C53 1.353(7) . ?
C52 H52A 0.9300 . ?
C53 C54 1.371(7) . ?
C53 H53A 0.9300 . ?
C54 H54A 0.9300 . ?
C55 C56 1.373(6) . ?
C55 C60 1.376(5) . ?
C56 C57 1.373(6) . ?
C56 H56A 0.9300 . ?
C57 C58 1.357(7) . ?
C57 H57A 0.9300 . ?
C58 C59 1.364(7) . ?
C58 H58A 0.9300 . ?
C59 C60 1.373(6) . ?
C59 H59A 0.9300 . ?
C60 H60A 0.9300 . ?
C61 C62 1.367(6) . ?
C61 C66 1.376(6) . ?
C62 C63 1.387(7) . ?
C62 H62A 0.9300 . ?
C63 C64 1.346(8) . ?
C63 H63A 0.9300 . ?
C64 C65 1.349(8) . ?
C64 H64A 0.9300 . ?
C65 C66 1.375(7) . ?
C65 H65A 0.9300 . ?
C66 H66A 0.9300 . ?
C67 C68 1.521(5) . ?
C67 H67A 0.9700 . ?
C67 H67B 0.9700 . ?
C68 C69 1.496(5) . ?
C68 H68A 0.9700 . ?
C68 H68B 0.9700 . ?
C69 C70 1.520(5) . ?
C69 H69A 0.9700 . ?
C69 H69B 0.9700 . ?
C70 H70A 0.9700 . ?
C70 H70B 0.9700 . ?
C71 C72 1.514(5) . ?
C71 H71A 0.9700 . ?
C71 H71B 0.9700 . ?
C72 C73 1.522(5) . ?
C72 H72A 0.9700 . ?
C72 H72B 0.9700 . ?
C73 C74 1.518(5) . ?
C73 H73A 0.9700 . ?
C73 H73B 0.9700 . ?
C74 H74A 0.9700 . ?
C74 H74B 0.9700 . ?

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
N2 Cu1 N1 80.11(13) . . ?
N2 Cu1 P2 115.83(9) . . ?
N1 Cu1 P2 115.62(9) . . ?
N2 Cu1 P1 110.07(9) . . ?
N1 Cu1 P1 113.92(9) . . ?
P2 Cu1 P1 116.11(4) . . ?
N5 Cu2 N4 80.28(12) . . ?
N5 Cu2 P3 120.00(9) . . ?
N4 Cu2 P3 113.32(9) . . ?
N5 Cu2 P4 113.88(9) . . ?
N4 Cu2 P4 112.50(9) . . ?
P3 Cu2 P4 112.81(4) . . ?
C16 P1 C71 104.28(17) . . ?
C16 P1 C10 102.43(16) . . ?
C71 P1 C10 101.52(18) . . ?
C16 P1 Cu1 116.23(12) . . ?
C71 P1 Cu1 113.57(13) . . ?
C10 P1 Cu1 116.89(13) . . ?
C61 P4 C70 103.17(18) . . ?
C61 P4 C55 103.77(17) . . ?
C70 P4 C55 100.78(17) . . ?
C61 P4 Cu2 116.29(13) . . ?
C70 P4 Cu2 110.25(13) . . ?
C55 P4 Cu2 120.27(13) . . ?
C43 P3 C49 103.08(17) . . ?
C43 P3 C74 103.56(17) . . ?
C49 P3 C74 102.31(17) . . ?
C43 P3 Cu2 112.56(12) . . ?
C49 P3 Cu2 115.80(13) . . ?
C74 P3 Cu2 117.72(13) . . ?
C28 P2 C67 104.34(19) . . ?
C28 P2 C22 103.67(19) . . ?
C67 P2 C22 99.89(17) . . ?
C28 P2 Cu1 118.65(13) . . ?
C67 P2 Cu1 111.05(13) . . ?
C22 P2 Cu1 116.95(13) . . ?
C5 N1 C1 118.2(4) . . ?
C5 N1 Cu1 113.1(3) . . ?
C1 N1 Cu1 128.6(3) . . ?
N3 N2 C6 109.7(3) . . ?
N3 N2 Cu1 135.1(3) . . ?
C6 N2 Cu1 113.1(2) . . ?
C8 N3 N2 106.1(3) . . ?
C34 N4 C38 118.6(3) . . ?
C34 N4 Cu2 129.9(3) . . ?
C38 N4 Cu2 111.3(2) . . ?
N6 N5 C39 109.4(3) . . ?
N6 N5 Cu2 136.6(2) . . ?
C39 N5 Cu2 113.7(2) . . ?
C41 N6 N5 105.7(3) . . ?
N1 C1 C2 122.9(5) . . ?
N1 C1 H1A 118.5 . . ?
C2 C1 H1A 118.5 . . ?
C3 C2 C1 118.9(5) . . ?
C3 C2 H2A 120.5 . . ?
C1 C2 H2A 120.5 . . ?
C2 C3 C4 120.1(5) . . ?
C2 C3 H3B 120.0 . . ?
C4 C3 H3B 120.0 . . ?
C3 C4 C5 119.5(5) . . ?
C3 C4 H4A 120.3 . . ?
C5 C4 H4A 120.3 . . ?
N1 C5 C4 120.4(4) . . ?
N1 C5 C6 114.9(3) . . ?
C4 C5 C6 124.7(4) . . ?
N2 C6 C7 108.6(4) . . ?
N2 C6 C5 118.1(3) . . ?
C7 C6 C5 133.1(4) . . ?
C8 C7 C6 103.8(4) . . ?
C8 C7 H7A 128.1 . . ?
C6 C7 H7A 128.1 . . ?
N3 C8 C7 111.8(4) . . ?
N3 C8 C9 120.1(5) . . ?
C7 C8 C9 128.0(4) . . ?
F2 C9 F1 104.0(5) . . ?
F2 C9 F3 105.0(4) . . ?
F1 C9 F3 105.7(5) . . ?
F2 C9 C8 113.8(5) . . ?
F1 C9 C8 114.0(4) . . ?
F3 C9 C8 113.4(4) . . ?
C11 C10 C15 117.7(4) . . ?
C11 C10 P1 119.6(3) . . ?
C15 C10 P1 122.7(3) . . ?
C10 C11 C12 121.4(4) . . ?
C10 C11 H11A 119.3 . . ?
C12 C11 H11A 119.3 . . ?
C13 C12 C11 119.6(5) . . ?
C13 C12 H12A 120.2 . . ?
C11 C12 H12A 120.2 . . ?
C12 C13 C14 120.2(5) . . ?
C12 C13 H13A 119.9 . . ?
C14 C13 H13A 119.9 . . ?
C13 C14 C15 120.0(4) . . ?
C13 C14 H14A 120.0 . . ?
C15 C14 H14A 120.0 . . ?
C10 C15 C14 121.0(4) . . ?
C10 C15 H15A 119.5 . . ?
C14 C15 H15A 119.5 . . ?
C17 C16 C21 116.9(4) . . ?
C17 C16 P1 124.8(3) . . ?
C21 C16 P1 118.4(3) . . ?
C16 C17 C18 121.2(4) . . ?
C16 C17 H17A 119.4 . . ?
C18 C17 H17A 119.4 . . ?
C19 C18 C17 120.5(5) . . ?
C19 C18 H18A 119.8 . . ?
C17 C18 H18A 119.8 . . ?
C18 C19 C20 119.5(4) . . ?
C18 C19 H19A 120.3 . . ?
C20 C19 H19A 120.3 . . ?
C19 C20 C21 120.2(4) . . ?
C19 C20 H20A 119.9 . . ?
C21 C20 H20A 119.9 . . ?
C20 C21 C16 121.8(4) . . ?
C20 C21 H21A 119.1 . . ?
C16 C21 H21A 119.1 . . ?
C23 C22 C27 118.6(4) . . ?
C23 C22 P2 119.8(3) . . ?
C27 C22 P2 121.3(3) . . ?
C22 C23 C24 120.1(4) . . ?
C22 C23 H23A 119.9 . . ?
C24 C23 H23A 119.9 . . ?
C25 C24 C23 120.2(5) . . ?
C25 C24 H24A 119.9 . . ?
C23 C24 H24A 119.9 . . ?
C26 C25 C24 120.3(5) . . ?
C26 C25 H25A 119.8 . . ?
C24 C25 H25A 119.8 . . ?
C25 C26 C27 120.0(5) . . ?
C25 C26 H26A 120.0 . . ?
C27 C26 H26A 120.0 . . ?
C26 C27 C22 120.8(4) . . ?
C26 C27 H27A 119.6 . . ?
C22 C27 H27A 119.6 . . ?
C33 C28 C29 116.8(5) . . ?
C33 C28 P2 121.3(4) . . ?
C29 C28 P2 121.8(4) . . ?
C28 C29 C30 120.8(6) . . ?
C28 C29 H29A 119.6 . . ?
C30 C29 H29A 119.6 . . ?
C31 C30 C29 121.5(7) . . ?
C31 C30 H30A 119.2 . . ?
C29 C30 H30A 119.2 . . ?
C32 C31 C30 118.9(7) . . ?
C32 C31 H31A 120.5 . . ?
C30 C31 H31A 120.5 . . ?
C31 C32 C33 121.1(8) . . ?
C31 C32 H32A 119.4 . . ?
C33 C32 H32A 119.4 . . ?
C28 C33 C32 120.9(7) . . ?
C28 C33 H33A 119.6 . . ?
C32 C33 H33A 119.6 . . ?
N4 C34 C35 122.7(4) . . ?
N4 C34 H34A 118.6 . . ?
C35 C34 H34A 118.6 . . ?
C36 C35 C34 118.9(4) . . ?
C36 C35 H35A 120.5 . . ?
C34 C35 H35A 120.5 . . ?
C37 C36 C35 119.2(4) . . ?
C37 C36 H36A 120.4 . . ?
C35 C36 H36A 120.4 . . ?
C36 C37 C38 120.0(4) . . ?
C36 C37 H37A 120.0 . . ?
C38 C37 H37A 120.0 . . ?
N4 C38 C37 120.5(4) . . ?
N4 C38 C39 115.9(3) . . ?
C37 C38 C39 123.6(4) . . ?
N5 C39 C40 108.9(3) . . ?
N5 C39 C38 118.2(3) . . ?
C40 C39 C38 132.9(4) . . ?
C41 C40 C39 103.9(3) . . ?
C41 C40 H40A 128.1 . . ?
C39 C40 H40A 128.1 . . ?
N6 C41 C40 112.2(3) . . ?
N6 C41 C42 120.0(4) . . ?
C40 C41 C42 127.7(4) . . ?
F6 C42 F4 108.6(5) . . ?
F6 C42 F5 103.8(5) . . ?
F4 C42 F5 102.7(5) . . ?
F6 C42 C41 115.0(4) . . ?
F4 C42 C41 112.4(5) . . ?
F5 C42 C41 113.4(4) . . ?
C44 C43 C48 117.1(4) . . ?
C44 C43 P3 119.4(3) . . ?
C48 C43 P3 123.1(3) . . ?
C43 C44 C45 121.2(4) . . ?
C43 C44 H44A 119.4 . . ?
C45 C44 H44A 119.4 . . ?
C46 C45 C44 120.6(5) . . ?
C46 C45 H45A 119.7 . . ?
C44 C45 H45A 119.7 . . ?
C47 C46 C45 119.8(5) . . ?
C47 C46 H46A 120.1 . . ?
C45 C46 H46A 120.1 . . ?
C46 C47 C48 120.6(5) . . ?
C46 C47 H47A 119.7 . . ?
C48 C47 H47A 119.7 . . ?
C47 C48 C43 120.8(4) . . ?
C47 C48 H48A 119.6 . . ?
C43 C48 H48A 119.6 . . ?
C54 C49 C50 117.7(4) . . ?
C54 C49 P3 122.4(3) . . ?
C50 C49 P3 119.8(3) . . ?
C49 C50 C51 120.7(4) . . ?
C49 C50 H50A 119.6 . . ?
C51 C50 H50A 119.6 . . ?
C52 C51 C50 120.9(5) . . ?
C52 C51 H51A 119.6 . . ?
C50 C51 H51A 119.6 . . ?
C51 C52 C53 119.0(5) . . ?
C51 C52 H52A 120.5 . . ?
C53 C52 H52A 120.5 . . ?
C52 C53 C54 120.7(5) . . ?
C52 C53 H53A 119.7 . . ?
C54 C53 H53A 119.7 . . ?
C49 C54 C53 121.0(5) . . ?
C49 C54 H54A 119.5 . . ?
C53 C54 H54A 119.5 . . ?
C56 C55 C60 118.5(4) . . ?
C56 C55 P4 119.4(3) . . ?
C60 C55 P4 122.1(3) . . ?
C57 C56 C55 120.4(4) . . ?
C57 C56 H56A 119.8 . . ?
C55 C56 H56A 119.8 . . ?
C58 C57 C56 120.6(5) . . ?
C58 C57 H57A 119.7 . . ?
C56 C57 H57A 119.7 . . ?
C57 C58 C59 119.6(5) . . ?
C57 C58 H58A 120.2 . . ?
C59 C58 H58A 120.2 . . ?
C58 C59 C60 120.2(4) . . ?
C58 C59 H59A 119.9 . . ?
C60 C59 H59A 119.9 . . ?
C59 C60 C55 120.7(4) . . ?
C59 C60 H60A 119.7 . . ?
C55 C60 H60A 119.7 . . ?
C62 C61 C66 117.2(4) . . ?
C62 C61 P4 118.2(3) . . ?
C66 C61 P4 124.4(3) . . ?
C61 C62 C63 121.5(5) . . ?
C61 C62 H62A 119.2 . . ?
C63 C62 H62A 119.2 . . ?
C64 C63 C62 119.7(6) . . ?
C64 C63 H63A 120.2 . . ?
C62 C63 H63A 120.2 . . ?
C63 C64 C65 120.0(5) . . ?
C63 C64 H64A 120.0 . . ?
C65 C64 H64A 120.0 . . ?
C64 C65 C66 120.6(6) . . ?
C64 C65 H65A 119.7 . . ?
C66 C65 H65A 119.7 . . ?
C65 C66 C61 120.9(5) . . ?
C65 C66 H66A 119.5 . . ?
C61 C66 H66A 119.5 . . ?
C68 C67 P2 108.2(3) . . ?
C68 C67 H67A 110.1 . . ?
P2 C67 H67A 110.1 . . ?
C68 C67 H67B 110.1 . . ?
P2 C67 H67B 110.1 . . ?
H67A C67 H67B 108.4 . . ?
C69 C68 C67 115.7(3) . . ?
C69 C68 H68A 108.4 . . ?
C67 C68 H68A 108.4 . . ?
C69 C68 H68B 108.4 . . ?
C67 C68 H68B 108.4 . . ?
H68A C68 H68B 107.4 . . ?
C68 C69 C70 109.7(3) . . ?
C68 C69 H69A 109.7 . . ?
C70 C69 H69A 109.7 . . ?
C68 C69 H69B 109.7 . . ?
C70 C69 H69B 109.7 . . ?
H69A C69 H69B 108.2 . . ?
C69 C70 P4 112.3(3) . . ?
C69 C70 H70A 109.1 . . ?
P4 C70 H70A 109.1 . . ?
C69 C70 H70B 109.1 . . ?
P4 C70 H70B 109.1 . . ?
H70A C70 H70B 107.9 . . ?
C72 C71 P1 111.7(3) . . ?
C72 C71 H71A 109.3 . . ?
P1 C71 H71A 109.3 . . ?
C72 C71 H71B 109.3 . . ?
P1 C71 H71B 109.3 . . ?
H71A C71 H71B 107.9 . . ?
C71 C72 C73 113.1(3) . . ?
C71 C72 H72A 109.0 . . ?
C73 C72 H72A 109.0 . . ?
C71 C72 H72B 109.0 . . ?
C73 C72 H72B 109.0 . . ?
H72A C72 H72B 107.8 . . ?
C74 C73 C72 111.8(3) . . ?
C74 C73 H73A 109.3 . . ?
C72 C73 H73A 109.3 . . ?
C74 C73 H73B 109.3 . . ?
C72 C73 H73B 109.3 . . ?
H73A C73 H73B 107.9 . . ?
C73 C74 P3 112.6(3) . . ?
C73 C74 H74A 109.1 . . ?
P3 C74 H74A 109.1 . . ?
C73 C74 H74B 109.1 . . ?
P3 C74 H74B 109.1 . . ?
H74A C74 H74B 107.8 . . ?

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
N2 Cu1 P1 C16 -164.78(16) . . . . ?
N1 Cu1 P1 C16 -76.96(17) . . . . ?
P2 Cu1 P1 C16 61.14(13) . . . . ?
N2 Cu1 P1 C71 74.23(17) . . . . ?
N1 Cu1 P1 C71 162.05(17) . . . . ?
P2 Cu1 P1 C71 -59.85(15) . . . . ?
N2 Cu1 P1 C10 -43.52(16) . . . . ?
N1 Cu1 P1 C10 44.30(17) . . . . ?
P2 Cu1 P1 C10 -177.60(13) . . . . ?
N5 Cu2 P4 C61 162.67(16) . . . . ?
N4 Cu2 P4 C61 73.61(17) . . . . ?
P3 Cu2 P4 C61 -56.12(15) . . . . ?
N5 Cu2 P4 C70 -80.39(16) . . . . ?
N4 Cu2 P4 C70 -169.45(16) . . . . ?
P3 Cu2 P4 C70 60.82(14) . . . . ?
N5 Cu2 P4 C55 36.11(17) . . . . ?
N4 Cu2 P4 C55 -52.95(17) . . . . ?
P3 Cu2 P4 C55 177.32(14) . . . . ?
N5 Cu2 P3 C43 -154.66(16) . . . . ?
N4 Cu2 P3 C43 -62.56(16) . . . . ?
P4 Cu2 P3 C43 66.75(14) . . . . ?
N5 Cu2 P3 C49 -36.43(17) . . . . ?
N4 Cu2 P3 C49 55.67(16) . . . . ?
P4 Cu2 P3 C49 -175.02(13) . . . . ?
N5 Cu2 P3 C74 85.00(17) . . . . ?
N4 Cu2 P3 C74 177.10(16) . . . . ?
P4 Cu2 P3 C74 -53.59(15) . . . . ?
N2 Cu1 P2 C28 166.4(2) . . . . ?
N1 Cu1 P2 C28 75.2(2) . . . . ?
P1 Cu1 P2 C28 -62.21(18) . . . . ?
N2 Cu1 P2 C67 -72.80(17) . . . . ?
N1 Cu1 P2 C67 -163.97(17) . . . . ?
P1 Cu1 P2 C67 58.64(14) . . . . ?
N2 Cu1 P2 C22 40.91(17) . . . . ?
N1 Cu1 P2 C22 -50.26(17) . . . . ?
P1 Cu1 P2 C22 172.35(13) . . . . ?
N2 Cu1 N1 C5 5.2(3) . . . . ?
P2 Cu1 N1 C5 119.2(2) . . . . ?
P1 Cu1 N1 C5 -102.5(3) . . . . ?
N2 Cu1 N1 C1 -178.8(4) . . . . ?
P2 Cu1 N1 C1 -64.8(4) . . . . ?
P1 Cu1 N1 C1 73.5(3) . . . . ?
N1 Cu1 N2 N3 -168.7(3) . . . . ?
P2 Cu1 N2 N3 77.5(3) . . . . ?
P1 Cu1 N2 N3 -56.7(3) . . . . ?
N1 Cu1 N2 C6 -7.9(2) . . . . ?
P2 Cu1 N2 C6 -121.6(2) . . . . ?
P1 Cu1 N2 C6 104.1(2) . . . . ?
C6 N2 N3 C8 -0.3(4) . . . . ?
Cu1 N2 N3 C8 161.0(3) . . . . ?
N5 Cu2 N4 C34 178.1(4) . . . . ?
P3 Cu2 N4 C34 59.5(4) . . . . ?
P4 Cu2 N4 C34 -69.9(4) . . . . ?
N5 Cu2 N4 C38 -7.4(2) . . . . ?
P3 Cu2 N4 C38 -126.0(2) . . . . ?
P4 Cu2 N4 C38 104.5(2) . . . . ?
N4 Cu2 N5 N6 179.3(4) . . . . ?
P3 Cu2 N5 N6 -69.3(4) . . . . ?
P4 Cu2 N5 N6 68.9(3) . . . . ?
N4 Cu2 N5 C39 6.8(2) . . . . ?
P3 Cu2 N5 C39 118.2(2) . . . . ?
P4 Cu2 N5 C39 -103.6(2) . . . . ?
C39 N5 N6 C41 0.4(4) . . . . ?
Cu2 N5 N6 C41 -172.3(3) . . . . ?
C5 N1 C1 C2 0.9(6) . . . . ?
Cu1 N1 C1 C2 -175.0(4) . . . . ?
N1 C1 C2 C3 -1.0(8) . . . . ?
C1 C2 C3 C4 0.2(8) . . . . ?
C2 C3 C4 C5 0.8(8) . . . . ?
C1 N1 C5 C4 0.1(6) . . . . ?
Cu1 N1 C5 C4 176.6(3) . . . . ?
C1 N1 C5 C6 -178.2(3) . . . . ?
Cu1 N1 C5 C6 -1.7(4) . . . . ?
C3 C4 C5 N1 -0.9(6) . . . . ?
C3 C4 C5 C6 177.2(4) . . . . ?
N3 N2 C6 C7 0.0(4) . . . . ?
Cu1 N2 C6 C7 -165.8(3) . . . . ?
N3 N2 C6 C5 175.4(3) . . . . ?
Cu1 N2 C6 C5 9.6(4) . . . . ?
N1 C5 C6 N2 -5.2(5) . . . . ?
C4 C5 C6 N2 176.5(4) . . . . ?
N1 C5 C6 C7 168.7(4) . . . . ?
C4 C5 C6 C7 -9.5(7) . . . . ?
N2 C6 C7 C8 0.3(4) . . . . ?
C5 C6 C7 C8 -174.1(4) . . . . ?
N2 N3 C8 C7 0.5(4) . . . . ?
N2 N3 C8 C9 -176.2(4) . . . . ?
C6 C7 C8 N3 -0.5(5) . . . . ?
C6 C7 C8 C9 175.9(4) . . . . ?
N3 C8 C9 F2 -150.8(5) . . . . ?
C7 C8 C9 F2 33.1(7) . . . . ?
N3 C8 C9 F1 -31.7(7) . . . . ?
C7 C8 C9 F1 152.2(5) . . . . ?
N3 C8 C9 F3 89.3(6) . . . . ?
C7 C8 C9 F3 -86.8(7) . . . . ?
C16 P1 C10 C11 137.5(4) . . . . ?
C71 P1 C10 C11 -114.9(4) . . . . ?
Cu1 P1 C10 C11 9.2(4) . . . . ?
C16 P1 C10 C15 -45.2(4) . . . . ?
C71 P1 C10 C15 62.4(4) . . . . ?
Cu1 P1 C10 C15 -173.5(3) . . . . ?
C15 C10 C11 C12 0.7(7) . . . . ?
P1 C10 C11 C12 178.2(4) . . . . ?
C10 C11 C12 C13 -0.5(9) . . . . ?
C11 C12 C13 C14 0.0(10) . . . . ?
C12 C13 C14 C15 0.3(9) . . . . ?
C11 C10 C15 C14 -0.4(6) . . . . ?
P1 C10 C15 C14 -177.8(3) . . . . ?
C13 C14 C15 C10 -0.1(7) . . . . ?
C71 P1 C16 C17 6.4(4) . . . . ?
C10 P1 C16 C17 111.9(4) . . . . ?
Cu1 P1 C16 C17 -119.4(4) . . . . ?
C71 P1 C16 C21 -174.7(3) . . . . ?
C10 P1 C16 C21 -69.2(4) . . . . ?
Cu1 P1 C16 C21 59.4(4) . . . . ?
C21 C16 C17 C18 -0.9(7) . . . . ?
P1 C16 C17 C18 177.9(4) . . . . ?
C16 C17 C18 C19 0.0(9) . . . . ?
C17 C18 C19 C20 1.3(9) . . . . ?
C18 C19 C20 C21 -1.6(8) . . . . ?
C19 C20 C21 C16 0.7(8) . . . . ?
C17 C16 C21 C20 0.6(7) . . . . ?
P1 C16 C21 C20 -178.4(4) . . . . ?
C28 P2 C22 C23 -131.3(3) . . . . ?
C67 P2 C22 C23 121.2(3) . . . . ?
Cu1 P2 C22 C23 1.3(4) . . . . ?
C28 P2 C22 C27 55.6(4) . . . . ?
C67 P2 C22 C27 -51.9(4) . . . . ?
Cu1 P2 C22 C27 -171.8(3) . . . . ?
C27 C22 C23 C24 0.1(6) . . . . ?
P2 C22 C23 C24 -173.2(3) . . . . ?
C22 C23 C24 C25 -0.3(7) . . . . ?
C23 C24 C25 C26 -0.1(8) . . . . ?
C24 C25 C26 C27 0.7(8) . . . . ?
C25 C26 C27 C22 -0.9(8) . . . . ?
C23 C22 C27 C26 0.5(7) . . . . ?
P2 C22 C27 C26 173.7(4) . . . . ?
C67 P2 C28 C33 -43.3(5) . . . . ?
C22 P2 C28 C33 -147.4(5) . . . . ?
Cu1 P2 C28 C33 80.9(5) . . . . ?
C67 P2 C28 C29 141.0(4) . . . . ?
C22 P2 C28 C29 36.8(4) . . . . ?
Cu1 P2 C28 C29 -94.8(4) . . . . ?
C33 C28 C29 C30 0.7(9) . . . . ?
P2 C28 C29 C30 176.6(5) . . . . ?
C28 C29 C30 C31 -2.5(10) . . . . ?
C29 C30 C31 C32 2.8(12) . . . . ?
C30 C31 C32 C33 -1.3(14) . . . . ?
C29 C28 C33 C32 0.8(10) . . . . ?
P2 C28 C33 C32 -175.1(6) . . . . ?
C31 C32 C33 C28 -0.5(14) . . . . ?
C38 N4 C34 C35 -1.2(6) . . . . ?
Cu2 N4 C34 C35 172.9(3) . . . . ?
N4 C34 C35 C36 0.3(7) . . . . ?
C34 C35 C36 C37 0.3(7) . . . . ?
C35 C36 C37 C38 0.0(7) . . . . ?
C34 N4 C38 C37 1.5(5) . . . . ?
Cu2 N4 C38 C37 -173.6(3) . . . . ?
C34 N4 C38 C39 -178.1(3) . . . . ?
Cu2 N4 C38 C39 6.7(4) . . . . ?
C36 C37 C38 N4 -1.0(6) . . . . ?
C36 C37 C38 C39 178.7(4) . . . . ?
N6 N5 C39 C40 -0.1(4) . . . . ?
Cu2 N5 C39 C40 174.4(2) . . . . ?
N6 N5 C39 C38 -180.0(3) . . . . ?
Cu2 N5 C39 C38 -5.4(4) . . . . ?
N4 C38 C39 N5 -1.2(5) . . . . ?
C37 C38 C39 N5 179.2(3) . . . . ?
N4 C38 C39 C40 179.0(4) . . . . ?
C37 C38 C39 C40 -0.6(6) . . . . ?
N5 C39 C40 C41 -0.2(4) . . . . ?
C38 C39 C40 C41 179.6(4) . . . . ?
N5 N6 C41 C40 -0.5(4) . . . . ?
N5 N6 C41 C42 -177.6(4) . . . . ?
C39 C40 C41 N6 0.4(5) . . . . ?
C39 C40 C41 C42 177.2(4) . . . . ?
N6 C41 C42 F6 -32.2(7) . . . . ?
C40 C41 C42 F6 151.2(5) . . . . ?
N6 C41 C42 F4 -157.1(4) . . . . ?
C40 C41 C42 F4 26.3(7) . . . . ?
N6 C41 C42 F5 87.0(6) . . . . ?
C40 C41 C42 F5 -89.6(6) . . . . ?
C49 P3 C43 C44 -53.6(3) . . . . ?
C74 P3 C43 C44 -159.9(3) . . . . ?
Cu2 P3 C43 C44 71.9(3) . . . . ?
C49 P3 C43 C48 133.6(3) . . . . ?
C74 P3 C43 C48 27.3(4) . . . . ?
Cu2 P3 C43 C48 -100.9(3) . . . . ?
C48 C43 C44 C45 -0.6(6) . . . . ?
P3 C43 C44 C45 -173.9(3) . . . . ?
C43 C44 C45 C46 0.3(7) . . . . ?
C44 C45 C46 C47 0.1(8) . . . . ?
C45 C46 C47 C48 0.0(8) . . . . ?
C46 C47 C48 C43 -0.4(7) . . . . ?
C44 C43 C48 C47 0.7(6) . . . . ?
P3 C43 C48 C47 173.7(3) . . . . ?
C43 P3 C49 C54 -53.9(4) . . . . ?
C74 P3 C49 C54 53.4(4) . . . . ?
Cu2 P3 C49 C54 -177.2(3) . . . . ?
C43 P3 C49 C50 127.9(4) . . . . ?
C74 P3 C49 C50 -124.8(4) . . . . ?
Cu2 P3 C49 C50 4.5(4) . . . . ?
C54 C49 C50 C51 -0.4(7) . . . . ?
P3 C49 C50 C51 178.0(4) . . . . ?
C49 C50 C51 C52 0.3(9) . . . . ?
C50 C51 C52 C53 0.3(10) . . . . ?
C51 C52 C53 C54 -1.0(10) . . . . ?
C50 C49 C54 C53 -0.3(8) . . . . ?
P3 C49 C54 C53 -178.6(5) . . . . ?
C52 C53 C54 C49 0.9(10) . . . . ?
C61 P4 C55 C56 -136.7(3) . . . . ?
C70 P4 C55 C56 116.7(4) . . . . ?
Cu2 P4 C55 C56 -4.6(4) . . . . ?
C61 P4 C55 C60 46.3(4) . . . . ?
C70 P4 C55 C60 -60.3(4) . . . . ?
Cu2 P4 C55 C60 178.4(3) . . . . ?
C60 C55 C56 C57 0.3(7) . . . . ?
P4 C55 C56 C57 -176.8(4) . . . . ?
C55 C56 C57 C58 -1.3(8) . . . . ?
C56 C57 C58 C59 1.2(9) . . . . ?
C57 C58 C59 C60 -0.1(8) . . . . ?
C58 C59 C60 C55 -0.9(7) . . . . ?
C56 C55 C60 C59 0.8(6) . . . . ?
P4 C55 C60 C59 177.8(3) . . . . ?
C70 P4 C61 C62 -160.5(4) . . . . ?
C55 P4 C61 C62 94.7(4) . . . . ?
Cu2 P4 C61 C62 -39.7(4) . . . . ?
C70 P4 C61 C66 16.2(4) . . . . ?
C55 P4 C61 C66 -88.6(4) . . . . ?
Cu2 P4 C61 C66 137.0(4) . . . . ?
C66 C61 C62 C63 -1.1(7) . . . . ?
P4 C61 C62 C63 175.9(4) . . . . ?
C61 C62 C63 C64 2.2(9) . . . . ?
C62 C63 C64 C65 -2.1(10) . . . . ?
C63 C64 C65 C66 0.8(11) . . . . ?
C64 C65 C66 C61 0.3(10) . . . . ?
C62 C61 C66 C65 -0.2(8) . . . . ?
P4 C61 C66 C65 -176.9(5) . . . . ?
C28 P2 C67 C68 -169.4(3) . . . . ?
C22 P2 C67 C68 -62.4(3) . . . . ?
Cu1 P2 C67 C68 61.7(3) . . . . ?
P2 C67 C68 C69 -177.8(3) . . . . ?
C67 C68 C69 C70 179.8(3) . . . . ?
C68 C69 C70 P4 178.4(3) . . . . ?
C61 P4 C70 C69 178.3(3) . . . . ?
C55 P4 C70 C69 -74.7(3) . . . . ?
Cu2 P4 C70 C69 53.4(3) . . . . ?
C16 P1 C71 C72 174.7(3) . . . . ?
C10 P1 C71 C72 68.6(3) . . . . ?
Cu1 P1 C71 C72 -57.8(3) . . . . ?
P1 C71 C72 C73 173.5(3) . . . . ?
C71 C72 C73 C74 177.6(3) . . . . ?
C72 C73 C74 P3 168.7(3) . . . . ?
C43 P3 C74 C73 167.3(3) . . . . ?
C49 P3 C74 C73 60.3(3) . . . . ?
Cu2 P3 C74 C73 -67.8(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        27.57
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         0.686
_refine_diff_density_min         -0.295
_refine_diff_density_rms         0.069
