# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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 2072920'
loop_
_audit_author_name
_audit_author_address
'Jing-Lin Chen'
;Jiangxi University of Science and Technology
China
;
_audit_update_record             
;
2021-03-25 deposited with the CCDC.	2021-10-27 downloaded from the CCDC.
;
_audit_creation_date             2020-11-07
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C58 H50 Cu2 N3 P4, Cl O4, C H2 Cl2'
_chemical_formula_sum            'C59 H52 Cl3 Cu2 N3 O4 P4'
_chemical_formula_weight         1224.34
_chemical_melting_point          ?
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'
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.9124(7)
_cell_length_b                   14.3129(8)
_cell_length_c                   17.8368(11)
_cell_angle_alpha                71.683(2)
_cell_angle_beta                 79.859(2)
_cell_angle_gamma                64.650(2)
_cell_volume                     2824.8(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9826
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.416
_cell_measurement_theta_min      2.884
_shelx_estimated_absorpt_T_max   0.793
_shelx_estimated_absorpt_T_min   0.763
_exptl_absorpt_coefficient_mu    1.057
_exptl_absorpt_correction_T_max  0.793
_exptl_absorpt_correction_T_min  0.763
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.439
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1256
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.23
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0327
_diffrn_reflns_av_unetI/netI     0.0363
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            43308
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.498
_diffrn_reflns_theta_min         2.884
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'D8 QUEST'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.35
_diffrn_source_voltage           45.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9593
_reflns_number_total             12857
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         0.671
_refine_diff_density_min         -0.645
_refine_diff_density_rms         0.061
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     676
_refine_ls_number_reflns         12857
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0634
_refine_ls_R_factor_gt           0.0403
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0404P)²+2.4724P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0920
_refine_ls_wR_factor_ref         0.1050
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C5(H5A,H5B), C9(H9A,H9B), C56(H56A,H56B)
2.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C6(H6), C7(H7), C10(H10), C11(H11), C16(H16),
 C17(H17), C20(H20), C23(H23), C24(H24), C25(H25), C26(H26), C27(H27), C28(H28),
  C29(H29), C30(H30), C31(H31), C32(H32), C33(H33), C34(H34), C35(H35),
 C36(H36), C37(H37), C39(H39), C40(H40), C41(H41), C42(H42), C43(H43), C44(H44),
  C45(H45), C46(H46), C47(H47), C48(H48), C49(H49), C50(H50), C51(H51),
 C52(H52), C53(H53), C54(H54), C55(H55), C57(H57), C58(H58), C59(H59)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.34941(3) 0.92623(2) 0.25405(2) 0.03130(8) Uani 1 1 d . . . . .
Cu2 Cu 0.11859(3) 0.93012(2) 0.34020(2) 0.03135(8) Uani 1 1 d . . . . .
P1 P 0.28637(5) 0.91761(5) 0.14749(4) 0.02706(13) Uani 1 1 d . . . . .
P3 P 0.05516(5) 0.92309(5) 0.23439(4) 0.02653(13) Uani 1 1 d . . . . .
P2 P 0.44059(5) 0.76539(5) 0.33754(4) 0.02843(13) Uani 1 1 d . . . . .
P4 P 0.21512(5) 0.79183(5) 0.43867(4) 0.03007(14) Uani 1 1 d . . . . .
N1 N 0.43776(19) 1.03332(17) 0.22443(13) 0.0370(5) Uani 1 1 d . . . . .
N3 N 0.13211(18) 1.06666(17) 0.33264(13) 0.0366(5) Uani 1 1 d . . . . .
N2 N 0.23871(18) 1.04555(17) 0.29833(13) 0.0344(5) Uani 1 1 d . . . . .
C1 C 0.6925(3) 0.6284(3) 0.1875(2) 0.0524(8) Uani 1 1 d . . . . .
H1 H 0.7421 0.6510 0.1493 0.063 Uiso 1 1 calc R U . . .
C2 C 0.6238(3) 0.4946(2) 0.2589(2) 0.0562(8) Uani 1 1 d . . . . .
H2 H 0.6265 0.4258 0.2684 0.067 Uiso 1 1 calc R U . . .
C3 C 0.5238(3) 1.1881(3) 0.2018(2) 0.0552(8) Uani 1 1 d . . . . .
H3 H 0.5525 1.2402 0.1939 0.066 Uiso 1 1 calc R U . . .
C4 C -0.1722(3) 1.2327(3) 0.1668(3) 0.0751(11) Uani 1 1 d . . . . .
H4 H -0.2084 1.2890 0.1903 0.090 Uiso 1 1 calc R U . . .
C5 C 0.3486(2) 0.6996(2) 0.40092(15) 0.0317(5) Uani 1 1 d . . . . .
H5A H 0.3295 0.6635 0.3710 0.038 Uiso 1 1 calc R U . . .
H5B H 0.3917 0.6452 0.4454 0.038 Uiso 1 1 calc R U . . .
C6 C 0.2266(4) 0.9690(3) 0.5729(2) 0.0757(12) Uani 1 1 d . . . . .
H6 H 0.1858 1.0392 0.5763 0.091 Uiso 1 1 calc R U . . .
C7 C -0.1976(3) 1.2458(3) 0.0921(3) 0.0729(11) Uani 1 1 d . . . . .
H7 H -0.2501 1.3112 0.0643 0.087 Uiso 1 1 calc R U . . .
C8 C 0.2199(2) 1.04303(19) 0.07172(15) 0.0312(5) Uani 1 1 d . . . . .
C9 C 0.1763(2) 0.86206(19) 0.17008(14) 0.0298(5) Uani 1 1 d . . . . .
H9A H 0.1470 0.8707 0.1208 0.036 Uiso 1 1 calc R U . . .
H9B H 0.2123 0.7857 0.1951 0.036 Uiso 1 1 calc R U . . .
C10 C 0.6641(4) 0.7561(5) 0.5151(3) 0.0857(14) Uani 1 1 d . . . . .
H10 H 0.7084 0.7546 0.5517 0.103 Uiso 1 1 calc R U . . .
C11 C 0.6974(3) 0.5271(3) 0.2021(2) 0.0544(8) Uani 1 1 d . . . . .
H11 H 0.7502 0.4804 0.1738 0.065 Uiso 1 1 calc R U . . .
C12 C 0.3765(2) 1.1227(2) 0.25021(16) 0.0370(6) Uani 1 1 d . . . . .
C13 C 0.5403(2) 0.66543(19) 0.28760(14) 0.0306(5) Uani 1 1 d . . . . .
C14 C 0.2572(2) 0.8291(2) 0.51333(14) 0.0338(5) Uani 1 1 d . . . . .
C15 C -0.0279(2) 0.8419(2) 0.25118(14) 0.0300(5) Uani 1 1 d . . . . .
C16 C -0.1456(3) 1.1626(3) 0.0585(2) 0.0642(10) Uani 1 1 d . . . . .
H16 H -0.1627 1.1717 0.0075 0.077 Uiso 1 1 calc R U . . .
C17 C 0.5190(3) 0.8554(3) 0.42043(18) 0.0495(7) Uani 1 1 d . . . . .
H17 H 0.4655 0.9206 0.3932 0.059 Uiso 1 1 calc R U . . .
C18 C 0.3950(2) 0.8330(2) 0.08985(15) 0.0344(5) Uani 1 1 d . . . . .
C19 C 0.1426(2) 0.7044(2) 0.49404(15) 0.0338(5) Uani 1 1 d . . . . .
C20 C 0.0190(2) 0.7377(2) 0.24510(18) 0.0447(7) Uani 1 1 d . . . . .
H20 H 0.0947 0.7084 0.2264 0.054 Uiso 1 1 calc R U . . .
C21 C 0.2656(2) 1.1294(2) 0.28921(16) 0.0358(6) Uani 1 1 d . . . . .
C22 C -0.0403(2) 1.0515(2) 0.17408(15) 0.0335(5) Uani 1 1 d . . . . .
C23 C 0.1668(2) 1.1381(2) 0.09353(17) 0.0405(6) Uani 1 1 d . . . . .
H23 H 0.1690 1.1382 0.1453 0.049 Uiso 1 1 calc R U . . .
C24 C 0.1752(3) 1.2065(2) 0.31932(19) 0.0498(7) Uani 1 1 d . . . . .
H24 H 0.1706 1.2723 0.3214 0.060 Uiso 1 1 calc R U . . .
C25 C 0.4183(3) 1.2008(2) 0.23934(18) 0.0486(7) Uani 1 1 d . . . . .
H25 H 0.3751 1.2614 0.2574 0.058 Uiso 1 1 calc R U . . .
C26 C 0.5462(2) 0.5623(2) 0.30172(18) 0.0439(7) Uani 1 1 d . . . . .
H26 H 0.4975 0.5389 0.3403 0.053 Uiso 1 1 calc R U . . .
C27 C 0.2182(3) 1.0453(2) -0.00631(16) 0.0444(7) Uani 1 1 d . . . . .
H27 H 0.2544 0.9820 -0.0218 0.053 Uiso 1 1 calc R U . . .
C28 C -0.1417(2) 0.8839(2) 0.27718(17) 0.0436(7) Uani 1 1 d . . . . .
H28 H -0.1757 0.9547 0.2799 0.052 Uiso 1 1 calc R U . . .
C29 C -0.0052(3) 0.6428(3) 0.4985(2) 0.0768(12) Uani 1 1 d . . . . .
H29 H -0.0636 0.6440 0.4737 0.092 Uiso 1 1 calc R U . . .
C30 C 0.3999(3) 0.7373(3) 0.0851(2) 0.0521(8) Uani 1 1 d . . . . .
H30 H 0.3447 0.7119 0.1123 0.062 Uiso 1 1 calc R U . . .
C31 C 0.0938(3) 1.1638(2) 0.34540(19) 0.0486(7) Uani 1 1 d . . . . .
H31 H 0.0224 1.1975 0.3686 0.058 Uiso 1 1 calc R U . . .
C32 C 0.6139(2) 0.6972(2) 0.22935(17) 0.0421(6) Uani 1 1 d . . . . .
H32 H 0.6102 0.7665 0.2182 0.051 Uiso 1 1 calc R U . . .
C33 C 0.4872(3) 0.6782(3) 0.0397(3) 0.0762(12) Uani 1 1 d . . . . .
H33 H 0.4897 0.6139 0.0362 0.091 Uiso 1 1 calc R U . . .
C34 C 0.3485(2) 0.7616(2) 0.56188(16) 0.0407(6) Uani 1 1 d . . . . .
H34 H 0.3905 0.6915 0.5584 0.049 Uiso 1 1 calc R U . . .
C35 C 0.1100(3) 1.2335(2) 0.0381(2) 0.0526(8) Uani 1 1 d . . . . .
H35 H 0.0724 1.2971 0.0531 0.063 Uiso 1 1 calc R U . . .
C36 C 0.5664(3) 0.8089(4) 0.0056(2) 0.0728(11) Uani 1 1 d . . . . .
H36 H 0.6225 0.8332 -0.0212 0.087 Uiso 1 1 calc R U . . .
C37 C -0.0680(3) 1.0651(3) 0.09901(17) 0.0475(7) Uani 1 1 d . . . . .
H37 H -0.0342 1.0084 0.0757 0.057 Uiso 1 1 calc R U . . .
C38 C 0.5321(2) 0.7607(2) 0.40720(15) 0.0367(6) Uani 1 1 d . . . . .
C39 C -0.0457(3) 0.6768(2) 0.2666(2) 0.0557(8) Uani 1 1 d . . . . .
H39 H -0.0131 0.6067 0.2623 0.067 Uiso 1 1 calc R U . . .
C40 C 0.1683(3) 0.6386(2) 0.56979(18) 0.0479(7) Uani 1 1 d . . . . .
H40 H 0.2271 0.6361 0.5949 0.058 Uiso 1 1 calc R U . . .
C41 C 0.3774(3) 0.7978(3) 0.61543(18) 0.0510(8) Uani 1 1 d . . . . .
H41 H 0.4382 0.7520 0.6481 0.061 Uiso 1 1 calc R U . . .
C42 C -0.1568(3) 0.7183(3) 0.2942(2) 0.0547(8) Uani 1 1 d . . . . .
H42 H -0.1994 0.6763 0.3096 0.066 Uiso 1 1 calc R U . . .
C43 C 0.5865(3) 1.0977(3) 0.1761(2) 0.0544(8) Uani 1 1 d . . . . .
H43 H 0.6587 1.0870 0.1511 0.065 Uiso 1 1 calc R U . . .
C44 C 0.1629(3) 1.1413(3) -0.06134(18) 0.0563(8) Uani 1 1 d . . . . .
H44 H 0.1624 1.1424 -0.1137 0.068 Uiso 1 1 calc R U . . .
C45 C 0.6124(3) 0.6640(3) 0.44816(19) 0.0549(8) Uani 1 1 d . . . . .
H45 H 0.6224 0.6002 0.4389 0.066 Uiso 1 1 calc R U . . .
C46 C 0.0545(3) 0.7054(3) 0.4593(2) 0.0636(10) Uani 1 1 d . . . . .
H46 H 0.0351 0.7492 0.4085 0.076 Uiso 1 1 calc R U . . .
C47 C 0.5403(3) 1.0234(2) 0.18803(18) 0.0466(7) Uani 1 1 d . . . . .
H47 H 0.5827 0.9628 0.1698 0.056 Uiso 1 1 calc R U . . .
C48 C 0.1092(3) 1.2340(3) -0.0389(2) 0.0577(9) Uani 1 1 d . . . . .
H48 H 0.0718 1.2981 -0.0760 0.069 Uiso 1 1 calc R U . . .
C49 C 0.1073(3) 0.5766(3) 0.6083(2) 0.0602(9) Uani 1 1 d . . . . .
H49 H 0.1257 0.5325 0.6591 0.072 Uiso 1 1 calc R U . . .
C50 C 0.4811(2) 0.8677(3) 0.05032(18) 0.0516(8) Uani 1 1 d . . . . .
H50 H 0.4804 0.9312 0.0544 0.062 Uiso 1 1 calc R U . . .
C51 C -0.2052(3) 0.8222(3) 0.2990(2) 0.0555(8) Uani 1 1 d . . . . .
H51 H -0.2813 0.8512 0.3171 0.067 Uiso 1 1 calc R U . . .
C52 C 0.0206(3) 0.5793(3) 0.5728(2) 0.0637(9) Uani 1 1 d . . . . .
H52 H -0.0206 0.5378 0.5994 0.076 Uiso 1 1 calc R U . . .
C53 C 0.5693(3) 0.7146(4) 0.0003(2) 0.0829(14) Uani 1 1 d . . . . .
H53 H 0.6273 0.6750 -0.0302 0.100 Uiso 1 1 calc R U . . .
C54 C -0.0925(3) 1.1356(2) 0.2079(2) 0.0544(8) Uani 1 1 d . . . . .
H54 H -0.0744 1.1275 0.2584 0.065 Uiso 1 1 calc R U . . .
C55 C 0.1965(3) 0.9329(3) 0.51970(18) 0.0545(8) Uani 1 1 d . . . . .
H55 H 0.1347 0.9790 0.4880 0.065 Uiso 1 1 calc R U . . .
Cl1 Cl 0.30235(8) 0.49637(7) 0.26512(8) 0.0738(3) Uani 1 1 d . . . . .
O2 O 0.2204(2) 0.4514(2) 0.2909(2) 0.0910(9) Uani 1 1 d . . . . .
O1 O 0.2837(3) 0.5791(3) 0.2959(3) 0.163(2) Uani 1 1 d . . . . .
O3 O 0.4114(3) 0.4177(2) 0.2780(3) 0.1491(19) Uani 1 1 d . . . . .
O4 O 0.2845(5) 0.5489(4) 0.1835(3) 0.1644(19) Uani 1 1 d . . . . .
Cl0A Cl 0.00145(11) 0.45116(11) 0.16294(8) 0.1018(4) Uani 1 1 d . . . . .
Cl2 Cl 0.14600(13) 0.50112(12) 0.02977(10) 0.1321(6) Uani 1 1 d . . . . .
C56 C 0.1390(4) 0.4356(4) 0.1289(3) 0.1005(16) Uani 1 1 d . . . . .
H56A H 0.1870 0.3598 0.1369 0.121 Uiso 1 1 calc R U . . .
H56B H 0.1688 0.4636 0.1593 0.121 Uiso 1 1 calc R U . . .
C57 C 0.3163(3) 0.9010(3) 0.6201(2) 0.0677(10) Uani 1 1 d . . . . .
H57 H 0.3362 0.9252 0.6558 0.081 Uiso 1 1 calc R U . . .
C58 C 0.5863(3) 0.8524(4) 0.4748(2) 0.0721(11) Uani 1 1 d . . . . .
H58 H 0.5784 0.9158 0.4837 0.087 Uiso 1 1 calc R U . . .
C59 C 0.6777(3) 0.6623(4) 0.5027(2) 0.0776(12) Uani 1 1 d . . . . .
H59 H 0.7306 0.5974 0.5308 0.093 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 P1 2.2514(7) . ?
Cu1 P2 2.2462(7) . ?
Cu1 N1 2.169(2) . ?
Cu1 N2 1.986(2) . ?
Cu2 P3 2.2310(7) . ?
Cu2 P4 2.2426(7) . ?
Cu2 N3 1.997(2) . ?
P1 C8 1.830(2) . ?
P1 C9 1.838(2) . ?
P1 C18 1.819(3) . ?
P3 C9 1.831(2) . ?
P3 C15 1.824(2) . ?
P3 C22 1.827(3) . ?
P2 C5 1.841(2) . ?
P2 C13 1.821(2) . ?
P2 C38 1.828(3) . ?
P4 C5 1.836(3) . ?
P4 C14 1.817(3) . ?
P4 C19 1.822(3) . ?
N1 C12 1.360(3) . ?
N1 C47 1.338(4) . ?
N3 N2 1.350(3) . ?
N3 C31 1.342(3) . ?
N2 C21 1.343(3) . ?
C1 H1 0.9300 . ?
C1 C11 1.366(4) . ?
C1 C32 1.377(4) . ?
C2 H2 0.9300 . ?
C2 C11 1.374(4) . ?
C2 C26 1.376(4) . ?
C3 H3 0.9300 . ?
C3 C25 1.370(5) . ?
C3 C43 1.373(5) . ?
C4 H4 0.9300 . ?
C4 C7 1.364(6) . ?
C4 C54 1.389(5) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 H6 0.9300 . ?
C6 C55 1.389(4) . ?
C6 C57 1.365(5) . ?
C7 H7 0.9300 . ?
C7 C16 1.360(5) . ?
C8 C23 1.383(4) . ?
C8 C27 1.386(4) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10 0.9300 . ?
C10 C58 1.369(6) . ?
C10 C59 1.360(6) . ?
C11 H11 0.9300 . ?
C12 C21 1.455(4) . ?
C12 C25 1.387(4) . ?
C13 C26 1.387(4) . ?
C13 C32 1.383(4) . ?
C14 C34 1.390(4) . ?
C14 C55 1.383(4) . ?
C15 C20 1.381(4) . ?
C15 C28 1.383(4) . ?
C16 H16 0.9300 . ?
C16 C37 1.378(4) . ?
C17 H17 0.9300 . ?
C17 C38 1.383(4) . ?
C17 C58 1.392(4) . ?
C18 C30 1.372(4) . ?
C18 C50 1.400(4) . ?
C19 C40 1.383(4) . ?
C19 C46 1.381(4) . ?
C20 H20 0.9300 . ?
C20 C39 1.381(4) . ?
C21 C24 1.384(4) . ?
C22 C37 1.380(4) . ?
C22 C54 1.374(4) . ?
C23 H23 0.9300 . ?
C23 C35 1.389(4) . ?
C24 H24 0.9300 . ?
C24 C31 1.376(4) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C27 C44 1.386(4) . ?
C28 H28 0.9300 . ?
C28 C51 1.378(4) . ?
C29 H29 0.9300 . ?
C29 C46 1.376(4) . ?
C29 C52 1.354(5) . ?
C30 H30 0.9300 . ?
C30 C33 1.390(4) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C33 H33 0.9300 . ?
C33 C53 1.367(6) . ?
C34 H34 0.9300 . ?
C34 C41 1.387(4) . ?
C35 H35 0.9300 . ?
C35 C48 1.373(5) . ?
C36 H36 0.9300 . ?
C36 C50 1.369(5) . ?
C36 C53 1.368(6) . ?
C37 H37 0.9300 . ?
C38 C45 1.388(4) . ?
C39 H39 0.9300 . ?
C39 C42 1.363(5) . ?
C40 H40 0.9300 . ?
C40 C49 1.379(4) . ?
C41 H41 0.9300 . ?
C41 C57 1.367(5) . ?
C42 H42 0.9300 . ?
C42 C51 1.369(5) . ?
C43 H43 0.9300 . ?
C43 C47 1.375(4) . ?
C44 H44 0.9300 . ?
C44 C48 1.359(5) . ?
C45 H45 0.9300 . ?
C45 C59 1.384(5) . ?
C46 H46 0.9300 . ?
C47 H47 0.9300 . ?
C48 H48 0.9300 . ?
C49 H49 0.9300 . ?
C49 C52 1.362(5) . ?
C50 H50 0.9300 . ?
C51 H51 0.9300 . ?
C52 H52 0.9300 . ?
C53 H53 0.9300 . ?
C54 H54 0.9300 . ?
C55 H55 0.9300 . ?
Cl1 O2 1.404(3) . ?
Cl1 O1 1.372(3) . ?
Cl1 O3 1.377(3) . ?
Cl1 O4 1.421(5) . ?
Cl0A C56 1.715(5) . ?
Cl2 C56 1.729(5) . ?
C56 H56A 0.9700 . ?
C56 H56B 0.9700 . ?
C57 H57 0.9300 . ?
C58 H58 0.9300 . ?
C59 H59 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
P2 Cu1 P1 113.98(3) . . ?
N1 Cu1 P1 113.01(6) . . ?
N1 Cu1 P2 114.68(6) . . ?
N2 Cu1 P1 113.09(6) . . ?
N2 Cu1 P2 118.84(7) . . ?
N2 Cu1 N1 78.56(9) . . ?
P3 Cu2 P4 127.50(3) . . ?
N3 Cu2 P3 116.26(7) . . ?
N3 Cu2 P4 113.78(7) . . ?
C8 P1 Cu1 117.87(8) . . ?
C8 P1 C9 102.19(11) . . ?
C9 P1 Cu1 114.53(8) . . ?
C18 P1 Cu1 115.31(9) . . ?
C18 P1 C8 102.29(11) . . ?
C18 P1 C9 102.51(12) . . ?
C9 P3 Cu2 110.20(8) . . ?
C15 P3 Cu2 117.47(8) . . ?
C15 P3 C9 102.93(11) . . ?
C15 P3 C22 101.46(11) . . ?
C22 P3 Cu2 115.79(9) . . ?
C22 P3 C9 107.78(12) . . ?
C5 P2 Cu1 116.01(8) . . ?
C13 P2 Cu1 113.33(8) . . ?
C13 P2 C5 103.47(11) . . ?
C13 P2 C38 102.04(12) . . ?
C38 P2 Cu1 116.55(9) . . ?
C38 P2 C5 103.64(12) . . ?
C5 P4 Cu2 111.21(8) . . ?
C14 P4 Cu2 114.83(9) . . ?
C14 P4 C5 105.72(12) . . ?
C14 P4 C19 104.86(12) . . ?
C19 P4 Cu2 116.02(9) . . ?
C19 P4 C5 103.05(11) . . ?
C12 N1 Cu1 111.83(17) . . ?
C47 N1 Cu1 130.70(19) . . ?
C47 N1 C12 117.4(2) . . ?
N2 N3 Cu2 99.54(15) . . ?
C31 N3 Cu2 153.2(2) . . ?
C31 N3 N2 107.2(2) . . ?
N3 N2 Cu1 133.13(16) . . ?
C21 N2 Cu1 117.83(18) . . ?
C21 N2 N3 108.8(2) . . ?
C11 C1 H1 120.0 . . ?
C11 C1 C32 120.0(3) . . ?
C32 C1 H1 120.0 . . ?
C11 C2 H2 119.6 . . ?
C11 C2 C26 120.9(3) . . ?
C26 C2 H2 119.6 . . ?
C25 C3 H3 120.3 . . ?
C25 C3 C43 119.3(3) . . ?
C43 C3 H3 120.3 . . ?
C7 C4 H4 119.8 . . ?
C7 C4 C54 120.4(4) . . ?
C54 C4 H4 119.8 . . ?
P2 C5 H5A 108.8 . . ?
P2 C5 H5B 108.8 . . ?
P4 C5 P2 113.98(13) . . ?
P4 C5 H5A 108.8 . . ?
P4 C5 H5B 108.8 . . ?
H5A C5 H5B 107.7 . . ?
C55 C6 H6 120.2 . . ?
C57 C6 H6 120.2 . . ?
C57 C6 C55 119.7(3) . . ?
C4 C7 H7 120.2 . . ?
C16 C7 C4 119.5(3) . . ?
C16 C7 H7 120.2 . . ?
C23 C8 P1 118.9(2) . . ?
C23 C8 C27 119.0(2) . . ?
C27 C8 P1 122.0(2) . . ?
P1 C9 H9A 108.5 . . ?
P1 C9 H9B 108.5 . . ?
P3 C9 P1 114.91(13) . . ?
P3 C9 H9A 108.5 . . ?
P3 C9 H9B 108.5 . . ?
H9A C9 H9B 107.5 . . ?
C58 C10 H10 119.5 . . ?
C59 C10 H10 119.5 . . ?
C59 C10 C58 121.1(3) . . ?
C1 C11 C2 119.4(3) . . ?
C1 C11 H11 120.3 . . ?
C2 C11 H11 120.3 . . ?
N1 C12 C21 115.1(2) . . ?
N1 C12 C25 121.5(3) . . ?
C25 C12 C21 123.4(3) . . ?
C26 C13 P2 125.6(2) . . ?
C32 C13 P2 116.45(19) . . ?
C32 C13 C26 117.9(2) . . ?
C34 C14 P4 124.3(2) . . ?
C55 C14 P4 117.3(2) . . ?
C55 C14 C34 118.4(2) . . ?
C20 C15 P3 123.4(2) . . ?
C20 C15 C28 118.3(2) . . ?
C28 C15 P3 118.2(2) . . ?
C7 C16 H16 119.5 . . ?
C7 C16 C37 120.9(3) . . ?
C37 C16 H16 119.5 . . ?
C38 C17 H17 120.2 . . ?
C38 C17 C58 119.5(3) . . ?
C58 C17 H17 120.2 . . ?
C30 C18 P1 124.7(2) . . ?
C30 C18 C50 118.7(3) . . ?
C50 C18 P1 116.5(2) . . ?
C40 C19 P4 124.1(2) . . ?
C46 C19 P4 118.2(2) . . ?
C46 C19 C40 117.6(3) . . ?
C15 C20 H20 119.8 . . ?
C39 C20 C15 120.4(3) . . ?
C39 C20 H20 119.8 . . ?
N2 C21 C12 116.6(2) . . ?
N2 C21 C24 109.1(2) . . ?
C24 C21 C12 134.3(2) . . ?
C37 C22 P3 123.0(2) . . ?
C54 C22 P3 117.7(2) . . ?
C54 C22 C37 119.1(3) . . ?
C8 C23 H23 120.0 . . ?
C8 C23 C35 120.0(3) . . ?
C35 C23 H23 120.0 . . ?
C21 C24 H24 127.8 . . ?
C31 C24 C21 104.4(2) . . ?
C31 C24 H24 127.8 . . ?
C3 C25 C12 119.6(3) . . ?
C3 C25 H25 120.2 . . ?
C12 C25 H25 120.2 . . ?
C2 C26 C13 120.3(3) . . ?
C2 C26 H26 119.9 . . ?
C13 C26 H26 119.9 . . ?
C8 C27 H27 119.8 . . ?
C8 C27 C44 120.4(3) . . ?
C44 C27 H27 119.8 . . ?
C15 C28 H28 119.6 . . ?
C51 C28 C15 120.8(3) . . ?
C51 C28 H28 119.6 . . ?
C46 C29 H29 119.8 . . ?
C52 C29 H29 119.8 . . ?
C52 C29 C46 120.5(3) . . ?
C18 C30 H30 119.9 . . ?
C18 C30 C33 120.2(3) . . ?
C33 C30 H30 119.9 . . ?
N3 C31 C24 110.4(3) . . ?
N3 C31 H31 124.8 . . ?
C24 C31 H31 124.8 . . ?
C1 C32 C13 121.5(3) . . ?
C1 C32 H32 119.3 . . ?
C13 C32 H32 119.3 . . ?
C30 C33 H33 119.9 . . ?
C53 C33 C30 120.2(4) . . ?
C53 C33 H33 119.9 . . ?
C14 C34 H34 119.7 . . ?
C41 C34 C14 120.6(3) . . ?
C41 C34 H34 119.7 . . ?
C23 C35 H35 120.0 . . ?
C48 C35 C23 120.1(3) . . ?
C48 C35 H35 120.0 . . ?
C50 C36 H36 119.9 . . ?
C53 C36 H36 119.9 . . ?
C53 C36 C50 120.2(4) . . ?
C16 C37 C22 120.0(3) . . ?
C16 C37 H37 120.0 . . ?
C22 C37 H37 120.0 . . ?
C17 C38 P2 119.1(2) . . ?
C17 C38 C45 119.6(3) . . ?
C45 C38 P2 121.3(2) . . ?
C20 C39 H39 119.7 . . ?
C42 C39 C20 120.7(3) . . ?
C42 C39 H39 119.7 . . ?
C19 C40 H40 119.8 . . ?
C49 C40 C19 120.4(3) . . ?
C49 C40 H40 119.8 . . ?
C34 C41 H41 120.1 . . ?
C57 C41 C34 119.8(3) . . ?
C57 C41 H41 120.1 . . ?
C39 C42 H42 120.2 . . ?
C39 C42 C51 119.6(3) . . ?
C51 C42 H42 120.2 . . ?
C3 C43 H43 120.7 . . ?
C3 C43 C47 118.5(3) . . ?
C47 C43 H43 120.7 . . ?
C27 C44 H44 120.0 . . ?
C48 C44 C27 120.1(3) . . ?
C48 C44 H44 120.0 . . ?
C38 C45 H45 119.9 . . ?
C59 C45 C38 120.2(3) . . ?
C59 C45 H45 119.9 . . ?
C19 C46 H46 119.4 . . ?
C29 C46 C19 121.2(3) . . ?
C29 C46 H46 119.4 . . ?
N1 C47 C43 123.6(3) . . ?
N1 C47 H47 118.2 . . ?
C43 C47 H47 118.2 . . ?
C35 C48 H48 119.8 . . ?
C44 C48 C35 120.4(3) . . ?
C44 C48 H48 119.8 . . ?
C40 C49 H49 119.6 . . ?
C52 C49 C40 120.9(3) . . ?
C52 C49 H49 119.6 . . ?
C18 C50 H50 119.8 . . ?
C36 C50 C18 120.4(3) . . ?
C36 C50 H50 119.8 . . ?
C28 C51 H51 119.9 . . ?
C42 C51 C28 120.2(3) . . ?
C42 C51 H51 119.9 . . ?
C29 C52 C49 119.4(3) . . ?
C29 C52 H52 120.3 . . ?
C49 C52 H52 120.3 . . ?
C33 C53 C36 120.2(3) . . ?
C33 C53 H53 119.9 . . ?
C36 C53 H53 119.9 . . ?
C4 C54 H54 120.0 . . ?
C22 C54 C4 120.0(3) . . ?
C22 C54 H54 120.0 . . ?
C6 C55 H55 119.6 . . ?
C14 C55 C6 120.8(3) . . ?
C14 C55 H55 119.6 . . ?
O2 Cl1 O4 105.4(2) . . ?
O1 Cl1 O2 114.1(3) . . ?
O1 Cl1 O3 111.7(2) . . ?
O1 Cl1 O4 102.5(3) . . ?
O3 Cl1 O2 110.4(2) . . ?
O3 Cl1 O4 112.3(3) . . ?
Cl0A C56 Cl2 112.0(3) . . ?
Cl0A C56 H56A 109.2 . . ?
Cl0A C56 H56B 109.2 . . ?
Cl2 C56 H56A 109.2 . . ?
Cl2 C56 H56B 109.2 . . ?
H56A C56 H56B 107.9 . . ?
C6 C57 C41 120.8(3) . . ?
C6 C57 H57 119.6 . . ?
C41 C57 H57 119.6 . . ?
C10 C58 C17 119.9(4) . . ?
C10 C58 H58 120.1 . . ?
C17 C58 H58 120.1 . . ?
C10 C59 C45 119.7(4) . . ?
C10 C59 H59 120.1 . . ?
C45 C59 H59 120.1 . . ?

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
Cu1 P1 C8 C23 -27.1(2) . . . . ?
Cu1 P1 C8 C27 154.9(2) . . . . ?
Cu1 P1 C9 P3 50.48(15) . . . . ?
Cu1 P1 C18 C30 110.7(2) . . . . ?
Cu1 P1 C18 C50 -66.9(2) . . . . ?
Cu1 P2 C5 P4 -39.34(16) . . . . ?
Cu1 P2 C13 C26 -130.9(2) . . . . ?
Cu1 P2 C13 C32 47.3(2) . . . . ?
Cu1 P2 C38 C17 16.7(3) . . . . ?
Cu1 P2 C38 C45 -164.7(2) . . . . ?
Cu1 N1 C12 C21 -1.8(3) . . . . ?
Cu1 N1 C12 C25 178.4(2) . . . . ?
Cu1 N1 C47 C43 -177.5(2) . . . . ?
Cu1 N2 C21 C12 -2.5(3) . . . . ?
Cu1 N2 C21 C24 176.23(19) . . . . ?
Cu2 P3 C9 P1 -48.94(15) . . . . ?
Cu2 P3 C15 C20 -96.9(2) . . . . ?
Cu2 P3 C15 C28 78.0(2) . . . . ?
Cu2 P3 C22 C37 166.2(2) . . . . ?
Cu2 P3 C22 C54 -18.5(3) . . . . ?
Cu2 P4 C5 P2 52.56(15) . . . . ?
Cu2 P4 C14 C34 -155.9(2) . . . . ?
Cu2 P4 C14 C55 21.6(3) . . . . ?
Cu2 P4 C19 C40 -158.2(2) . . . . ?
Cu2 P4 C19 C46 20.2(3) . . . . ?
Cu2 N3 N2 Cu1 6.8(3) . . . . ?
Cu2 N3 N2 C21 -178.87(17) . . . . ?
Cu2 N3 C31 C24 176.3(3) . . . . ?
P1 C8 C23 C35 -176.3(2) . . . . ?
P1 C8 C27 C44 177.3(2) . . . . ?
P1 C18 C30 C33 -179.5(3) . . . . ?
P1 C18 C50 C36 179.9(3) . . . . ?
P3 C15 C20 C39 173.1(2) . . . . ?
P3 C15 C28 C51 -172.9(2) . . . . ?
P3 C22 C37 C16 176.3(2) . . . . ?
P3 C22 C54 C4 -175.3(3) . . . . ?
P2 C13 C26 C2 178.6(2) . . . . ?
P2 C13 C32 C1 -179.7(2) . . . . ?
P2 C38 C45 C59 -177.6(3) . . . . ?
P4 C14 C34 C41 177.6(2) . . . . ?
P4 C14 C55 C6 -177.1(3) . . . . ?
P4 C19 C40 C49 178.5(2) . . . . ?
P4 C19 C46 C29 -178.8(3) . . . . ?
N1 C12 C21 N2 2.8(3) . . . . ?
N1 C12 C21 C24 -175.5(3) . . . . ?
N1 C12 C25 C3 0.0(4) . . . . ?
N3 N2 C21 C12 -177.8(2) . . . . ?
N3 N2 C21 C24 0.9(3) . . . . ?
N2 N3 C31 C24 0.1(3) . . . . ?
N2 C21 C24 C31 -0.8(3) . . . . ?
C3 C43 C47 N1 -0.9(5) . . . . ?
C4 C7 C16 C37 0.3(6) . . . . ?
C5 P2 C13 C26 -4.5(3) . . . . ?
C5 P2 C13 C32 173.8(2) . . . . ?
C5 P2 C38 C17 -112.0(2) . . . . ?
C5 P2 C38 C45 66.6(3) . . . . ?
C5 P4 C14 C34 -32.9(3) . . . . ?
C5 P4 C14 C55 144.6(2) . . . . ?
C5 P4 C19 C40 80.0(3) . . . . ?
C5 P4 C19 C46 -101.6(3) . . . . ?
C7 C4 C54 C22 -1.2(6) . . . . ?
C7 C16 C37 C22 -1.3(5) . . . . ?
C8 P1 C9 P3 -78.16(15) . . . . ?
C8 P1 C18 C30 -120.1(3) . . . . ?
C8 P1 C18 C50 62.3(2) . . . . ?
C8 C23 C35 C48 -1.8(5) . . . . ?
C8 C27 C44 C48 -0.4(5) . . . . ?
C9 P1 C8 C23 99.4(2) . . . . ?
C9 P1 C8 C27 -78.6(2) . . . . ?
C9 P1 C18 C30 -14.4(3) . . . . ?
C9 P1 C18 C50 168.0(2) . . . . ?
C9 P3 C15 C20 24.3(3) . . . . ?
C9 P3 C15 C28 -160.8(2) . . . . ?
C9 P3 C22 C37 42.3(3) . . . . ?
C9 P3 C22 C54 -142.4(2) . . . . ?
C11 C1 C32 C13 1.3(5) . . . . ?
C11 C2 C26 C13 0.7(5) . . . . ?
C12 N1 C47 C43 0.5(4) . . . . ?
C12 C21 C24 C31 177.6(3) . . . . ?
C13 P2 C5 P4 -164.09(13) . . . . ?
C13 P2 C38 C17 140.8(2) . . . . ?
C13 P2 C38 C45 -40.7(3) . . . . ?
C14 P4 C5 P2 -72.68(16) . . . . ?
C14 P4 C19 C40 -30.4(3) . . . . ?
C14 P4 C19 C46 148.0(3) . . . . ?
C14 C34 C41 C57 -0.6(5) . . . . ?
C15 P3 C9 P1 -175.01(13) . . . . ?
C15 P3 C22 C37 -65.5(2) . . . . ?
C15 P3 C22 C54 109.9(2) . . . . ?
C15 C20 C39 C42 0.0(5) . . . . ?
C15 C28 C51 C42 -0.9(5) . . . . ?
C17 C38 C45 C59 1.0(5) . . . . ?
C18 P1 C8 C23 -154.7(2) . . . . ?
C18 P1 C8 C27 27.3(2) . . . . ?
C18 P1 C9 P3 176.11(13) . . . . ?
C18 C30 C33 C53 0.8(6) . . . . ?
C19 P4 C5 P2 177.52(13) . . . . ?
C19 P4 C14 C34 75.6(2) . . . . ?
C19 P4 C14 C55 -106.9(2) . . . . ?
C19 C40 C49 C52 -0.3(5) . . . . ?
C20 C15 C28 C51 2.2(4) . . . . ?
C20 C39 C42 C51 1.3(5) . . . . ?
C21 C12 C25 C3 -179.9(3) . . . . ?
C21 C24 C31 N3 0.4(4) . . . . ?
C22 P3 C9 P1 78.27(16) . . . . ?
C22 P3 C15 C20 135.8(2) . . . . ?
C22 P3 C15 C28 -49.3(2) . . . . ?
C23 C8 C27 C44 -0.7(4) . . . . ?
C23 C35 C48 C44 0.6(5) . . . . ?
C25 C3 C43 C47 0.9(5) . . . . ?
C25 C12 C21 N2 -177.3(3) . . . . ?
C25 C12 C21 C24 4.4(5) . . . . ?
C26 C2 C11 C1 -0.7(5) . . . . ?
C26 C13 C32 C1 -1.3(4) . . . . ?
C27 C8 C23 C35 1.8(4) . . . . ?
C27 C44 C48 C35 0.4(5) . . . . ?
C28 C15 C20 C39 -1.8(4) . . . . ?
C30 C18 C50 C36 2.2(5) . . . . ?
C30 C33 C53 C36 0.3(6) . . . . ?
C31 N3 N2 Cu1 -175.0(2) . . . . ?
C31 N3 N2 C21 -0.6(3) . . . . ?
C32 C1 C11 C2 -0.2(5) . . . . ?
C32 C13 C26 C2 0.3(4) . . . . ?
C34 C14 C55 C6 0.5(5) . . . . ?
C34 C41 C57 C6 0.3(6) . . . . ?
C37 C22 C54 C4 0.2(5) . . . . ?
C38 P2 C5 P4 89.72(15) . . . . ?
C38 P2 C13 C26 102.9(2) . . . . ?
C38 P2 C13 C32 -78.8(2) . . . . ?
C38 C17 C58 C10 -0.5(5) . . . . ?
C38 C45 C59 C10 -1.0(6) . . . . ?
C39 C42 C51 C28 -0.8(5) . . . . ?
C40 C19 C46 C29 -0.4(5) . . . . ?
C40 C49 C52 C29 0.7(6) . . . . ?
C43 C3 C25 C12 -0.4(5) . . . . ?
C46 C19 C40 C49 0.1(5) . . . . ?
C46 C29 C52 C49 -0.9(7) . . . . ?
C47 N1 C12 C21 179.9(2) . . . . ?
C47 N1 C12 C25 0.0(4) . . . . ?
C50 C18 C30 C33 -2.0(5) . . . . ?
C50 C36 C53 C33 -0.1(6) . . . . ?
C52 C29 C46 C19 0.8(7) . . . . ?
C53 C36 C50 C18 -1.1(5) . . . . ?
C54 C4 C7 C16 1.0(6) . . . . ?
C54 C22 C37 C16 1.1(4) . . . . ?
C55 C6 C57 C41 0.3(7) . . . . ?
C55 C14 C34 C41 0.1(4) . . . . ?
C57 C6 C55 C14 -0.8(6) . . . . ?
C58 C10 C59 C45 0.3(7) . . . . ?
C58 C17 C38 P2 178.4(2) . . . . ?
C58 C17 C38 C45 -0.2(4) . . . . ?
C59 C10 C58 C17 0.4(6) . . . . ?
####################################################################### 
# 
# 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 2072921'
loop_
_audit_author_name
_audit_author_address
'Jing-Lin Chen'
;Jiangxi University of Science and Technology
China
;
_audit_update_record             
;
2021-03-25 deposited with the CCDC.	2021-10-27 downloaded from the CCDC.
;
_audit_creation_date             2020-11-07
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C59 H49 Cu2 F3 N3 P4, Cl O4, C H2 Cl2'
_chemical_formula_sum            'C60 H51 Cl3 Cu2 F3 N3 O4 P4'
_chemical_formula_weight         1292.34
_chemical_melting_point          ?
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'
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'
F F 0.0171 0.0103 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_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                   11.7627(6)
_cell_length_b                   18.5166(10)
_cell_length_c                   27.2950(15)
_cell_angle_alpha                90
_cell_angle_beta                 98.1430(10)
_cell_angle_gamma                90
_cell_volume                     5885.1(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9799
_cell_measurement_temperature    299(2)
_cell_measurement_theta_max      26.210
_cell_measurement_theta_min      2.811
_shelx_estimated_absorpt_T_max   0.798
_shelx_estimated_absorpt_T_min   0.769
_exptl_absorpt_coefficient_mu    1.026
_exptl_absorpt_correction_T_max  0.798
_exptl_absorpt_correction_T_min  0.769
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.459
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2640
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.23
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0672
_diffrn_reflns_av_unetI/netI     0.0505
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            101096
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.284
_diffrn_reflns_theta_min         2.811
_diffrn_ambient_temperature      299(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'D8 QUEST'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8135
_reflns_number_total             13170
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.485
_refine_diff_density_min         -0.367
_refine_diff_density_rms         0.066
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     758
_refine_ls_number_reflns         13170
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1108
_refine_ls_R_factor_gt           0.0553
_refine_ls_restrained_S_all      1.066
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0357P)²+8.0846P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1032
_refine_ls_wR_factor_ref         0.1249
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
2. Others
 Sof(H0AA)=Sof(H0AB)=Sof(F4)=Sof(F5)=Sof(F6)=Sof(Cl4)=Sof(Cl5)=1-FVAR(1)
 Sof(H0AC)=Sof(H0AD)=Sof(F1)=Sof(F2)=Sof(F3)=Sof(Cl2)=Sof(Cl3)=FVAR(1)
3.a Secondary CH2 refined with riding coordinates:
 C2(H52A,H52B), C3(H51A,H51B), C60(H0AC,H0AD), C60(H0AA,H0AB)
3.b Aromatic/amide H refined with riding coordinates:
 C1(H53), C8(H46), C16(H38), C17(H37), C18(H36), C19(H35), C20(H33), C21(H32),
 C22(H31), C23(H30), C24(H28), C25(H27), C26(H25), C27(H24), C28(H23), C29(H22),
  C30(H21), C31(H20), C32(H19), C33(H18), C34(H17), C35(H16), C36(H15),
 C37(H14), C38(H13), C39(H12), C40(H11), C41(H10), C42(H9), C43(H7), C44(H6),
 C45(H5), C46(H4), C47(H3), C48(H2), C49(H1), C50(H72), C51(H71), C53(H70),
 C54(H69), C55(H61), C56(H68), C57(H67), C58(H65), C59(H64)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.05126(4) 0.76995(2) 0.14469(2) 0.03552(12) Uani 1 1 d . . . . .
Cu2 Cu 0.26989(4) 0.76998(2) 0.09770(2) 0.03675(12) Uani 1 1 d . . . . .
P3 P 0.23731(8) 0.65903(5) 0.06584(3) 0.0320(2) Uani 1 1 d . . . . .
P1 P 0.01506(7) 0.65867(5) 0.11205(3) 0.0313(2) Uani 1 1 d . . . . .
P2 P -0.01188(8) 0.86566(5) 0.09810(3) 0.0336(2) Uani 1 1 d . . . . .
P4 P 0.21524(8) 0.87071(5) 0.05511(3) 0.0340(2) Uani 1 1 d . . . . .
N3 N 0.3141(3) 0.77932(16) 0.17213(10) 0.0396(7) Uani 1 1 d . . . . .
N2 N 0.2083(2) 0.77947(15) 0.18478(10) 0.0361(7) Uani 1 1 d . . . . .
Cl1 Cl -0.09854(13) 0.70481(6) -0.07965(4) 0.0784(4) Uani 1 1 d . . . . .
C1 C 0.3289(4) 0.77865(19) 0.25516(13) 0.0459(10) Uani 1 1 d . . . . .
H53 H 0.3591 0.7781 0.2885 0.055 Uiso 1 1 calc R U . . .
C2 C 0.0835(3) 0.63801(19) 0.05715(11) 0.0336(8) Uani 1 1 d . . . . .
H52A H 0.0731 0.5871 0.0493 0.040 Uiso 1 1 calc R U . . .
H52B H 0.0456 0.6654 0.0292 0.040 Uiso 1 1 calc R U . . .
C3 C 0.0575(3) 0.87691(19) 0.04197(12) 0.0358(8) Uani 1 1 d . . . . .
H51A H 0.0292 0.8400 0.0181 0.043 Uiso 1 1 calc R U . . .
H51B H 0.0364 0.9236 0.0272 0.043 Uiso 1 1 calc R U . . .
C4 C 0.2641(3) 0.9567(2) 0.08253(14) 0.0420(9) Uani 1 1 d . . . . .
C5 C 0.1073(3) 0.77746(18) 0.25474(12) 0.0402(9) Uani 1 1 d . . . . .
C6 C 0.3877(3) 0.77939(19) 0.21485(13) 0.0429(9) Uani 1 1 d . . . . .
C7 C 0.2150(3) 0.77899(18) 0.23441(12) 0.0378(8) Uani 1 1 d . . . . .
C8 C 0.1007(4) 0.7752(2) 0.30529(13) 0.0535(11) Uani 1 1 d . . . . .
H46 H 0.1673 0.7753 0.3282 0.064 Uiso 1 1 calc R U . . .
C9 C -0.1347(3) 0.6357(2) 0.09200(13) 0.0396(8) Uani 1 1 d . . . . .
C10 C 0.3049(3) 0.58346(18) 0.10200(12) 0.0319(7) Uani 1 1 d . . . . .
C11 C -0.1650(3) 0.8594(2) 0.07443(14) 0.0447(9) Uani 1 1 d . . . . .
C12 C 0.2794(3) 0.64302(19) 0.00503(13) 0.0388(8) Uani 1 1 d . . . . .
C13 C 0.0579(3) 0.58326(18) 0.15425(12) 0.0334(8) Uani 1 1 d . . . . .
C14 C 0.0044(3) 0.95422(19) 0.12711(13) 0.0390(8) Uani 1 1 d . . . . .
C15 C 0.2616(3) 0.8734(2) -0.00581(13) 0.0437(9) Uani 1 1 d . . . . .
C16 C 0.3836(3) 0.5985(2) 0.14266(14) 0.0457(9) Uani 1 1 d . . . . .
H38 H 0.4001 0.6462 0.1515 0.055 Uiso 1 1 calc R U . . .
C17 C 0.2825(4) 0.5125(2) 0.08958(16) 0.0591(12) Uani 1 1 d . . . . .
H37 H 0.2302 0.5015 0.0618 0.071 Uiso 1 1 calc R U . . .
C18 C 0.0313(4) 0.5126(2) 0.14232(15) 0.0588(12) Uani 1 1 d . . . . .
H36 H -0.0081 0.5015 0.1113 0.071 Uiso 1 1 calc R U . . .
C19 C 0.1147(3) 0.5982(2) 0.20040(13) 0.0491(10) Uani 1 1 d . . . . .
H35 H 0.1332 0.6457 0.2092 0.059 Uiso 1 1 calc R U . . .
O1 O -0.0384(3) 0.74672(19) -0.04088(12) 0.0878(11) Uani 1 1 d . . . . .
C20 C 0.2081(4) 0.6152(2) -0.03506(14) 0.0580(11) Uani 1 1 d . . . . .
H33 H 0.1320 0.6046 -0.0323 0.070 Uiso 1 1 calc R U . . .
C21 C 0.3911(4) 0.6603(2) -0.00099(15) 0.0573(11) Uani 1 1 d . . . . .
H32 H 0.4396 0.6812 0.0251 0.069 Uiso 1 1 calc R U . . .
C22 C -0.1023(5) 0.7739(3) 0.28661(18) 0.0699(13) Uani 1 1 d . . . . .
H31 H -0.1748 0.7735 0.2965 0.084 Uiso 1 1 calc R U . . .
C23 C 0.2272(4) 0.8190(2) -0.03889(15) 0.0645(12) Uani 1 1 d . . . . .
H30 H 0.1760 0.7842 -0.0309 0.077 Uiso 1 1 calc R U . . .
O2 O -0.2171(4) 0.7219(3) -0.0846(2) 0.161(3) Uani 1 1 d . . . . .
C24 C 0.3606(5) 0.6175(3) -0.08384(17) 0.0740(14) Uani 1 1 d . . . . .
H28 H 0.3885 0.6073 -0.1133 0.089 Uiso 1 1 calc R U . . .
C25 C 0.3367(4) 0.4574(2) 0.11788(19) 0.0680(13) Uani 1 1 d . . . . .
H27 H 0.3200 0.4095 0.1094 0.082 Uiso 1 1 calc R U . . .
O3 O -0.0840(3) 0.63053(18) -0.06746(12) 0.0823(10) Uani 1 1 d . . . . .
C26 C 0.4313(4) 0.6470(3) -0.04512(17) 0.0754(15) Uani 1 1 d . . . . .
H25 H 0.5069 0.6583 -0.0485 0.090 Uiso 1 1 calc R U . . .
C27 C -0.0043(5) 0.7726(2) 0.32082(17) 0.0690(14) Uani 1 1 d . . . . .
H24 H -0.0098 0.7701 0.3544 0.083 Uiso 1 1 calc R U . . .
C28 C -0.1782(4) 0.6068(3) 0.04728(16) 0.0670(13) Uani 1 1 d . . . . .
H23 H -0.1315 0.6017 0.0227 0.080 Uiso 1 1 calc R U . . .
C29 C 0.4146(4) 0.4733(2) 0.15820(18) 0.0613(12) Uani 1 1 d . . . . .
H22 H 0.4515 0.4363 0.1773 0.074 Uiso 1 1 calc R U . . .
C30 C -0.0894(4) 0.7758(2) 0.23714(16) 0.0567(11) Uani 1 1 d . . . . .
H21 H -0.1555 0.7763 0.2139 0.068 Uiso 1 1 calc R U . . .
C31 C 0.2223(4) 1.0224(2) 0.0649(2) 0.0720(14) Uani 1 1 d . . . . .
H20 H 0.1642 1.0242 0.0380 0.086 Uiso 1 1 calc R U . . .
C32 C 0.4386(4) 0.5432(2) 0.17054(15) 0.0587(11) Uani 1 1 d . . . . .
H19 H 0.4923 0.5540 0.1979 0.070 Uiso 1 1 calc R U . . .
C33 C -0.3618(4) 0.5923(3) 0.0735(2) 0.0761(15) Uani 1 1 d . . . . .
H18 H -0.4373 0.5760 0.0677 0.091 Uiso 1 1 calc R U . . .
C34 C 0.0595(4) 0.9595(3) 0.17477(15) 0.0603(12) Uani 1 1 d . . . . .
H17 H 0.0854 0.9179 0.1920 0.072 Uiso 1 1 calc R U . . .
C35 C 0.3530(4) 0.9556(2) 0.12154(15) 0.0587(11) Uani 1 1 d . . . . .
H16 H 0.3828 0.9117 0.1340 0.070 Uiso 1 1 calc R U . . .
C36 C 0.2495(5) 0.6029(3) -0.07937(16) 0.0749(15) Uani 1 1 d . . . . .
H15 H 0.2007 0.5845 -0.1063 0.090 Uiso 1 1 calc R U . . .
C37 C 0.2680(5) 0.8155(3) -0.08412(17) 0.0847(17) Uani 1 1 d . . . . .
H14 H 0.2430 0.7791 -0.1065 0.102 Uiso 1 1 calc R U . . .
C38 C 0.3442(5) 0.8652(4) -0.0954(2) 0.0919(19) Uani 1 1 d . . . . .
H13 H 0.3725 0.8623 -0.1255 0.110 Uiso 1 1 calc R U . . .
C39 C 0.1448(4) 0.5432(3) 0.23398(16) 0.0658(13) Uani 1 1 d . . . . .
H12 H 0.1830 0.5540 0.2653 0.079 Uiso 1 1 calc R U . . .
C40 C 0.0624(5) 0.4579(2) 0.17599(18) 0.0712(14) Uani 1 1 d . . . . .
H11 H 0.0446 0.4102 0.1674 0.085 Uiso 1 1 calc R U . . .
C41 C -0.3199(5) 0.8043(4) 0.0220(3) 0.112(2) Uani 1 1 d . . . . .
H10 H -0.3445 0.7738 -0.0044 0.134 Uiso 1 1 calc R U . . .
C42 C -0.0354(4) 1.0166(2) 0.10280(17) 0.0633(12) Uani 1 1 d . . . . .
H9 H -0.0756 1.0139 0.0709 0.076 Uiso 1 1 calc R U . . .
C43 C -0.2035(4) 0.8154(3) 0.0363(2) 0.0873(17) Uani 1 1 d . . . . .
H7 H -0.1510 0.7920 0.0193 0.105 Uiso 1 1 calc R U . . .
C44 C 0.0388(5) 1.0867(3) 0.1728(2) 0.0873(17) Uani 1 1 d . . . . .
H6 H 0.0503 1.1313 0.1884 0.105 Uiso 1 1 calc R U . . .
C45 C -0.3205(4) 0.6235(3) 0.1173(2) 0.0937(19) Uani 1 1 d . . . . .
H5 H -0.3685 0.6304 0.1412 0.112 Uiso 1 1 calc R U . . .
C46 C 0.3525(6) 1.0836(3) 0.1249(3) 0.092(2) Uani 1 1 d . . . . .
H4 H 0.3814 1.1264 0.1395 0.111 Uiso 1 1 calc R U . . .
C47 C -0.2926(4) 0.5849(3) 0.03838(19) 0.0841(17) Uani 1 1 d . . . . .
H3 H -0.3217 0.5651 0.0079 0.101 Uiso 1 1 calc R U . . .
C48 C -0.0158(5) 1.0829(2) 0.1255(2) 0.0842(16) Uani 1 1 d . . . . .
H2 H -0.0401 1.1249 0.1085 0.101 Uiso 1 1 calc R U . . .
C49 C 0.3973(5) 1.0194(3) 0.14191(19) 0.0820(16) Uani 1 1 d . . . . .
H1 H 0.4584 1.0185 0.1676 0.098 Uiso 1 1 calc R U . . .
C50 C 0.3386(4) 0.9242(3) -0.01849(17) 0.0720(14) Uani 1 1 d . . . . .
H72 H 0.3626 0.9617 0.0032 0.086 Uiso 1 1 calc R U . . .
C51 C 0.1189(4) 0.4736(2) 0.22146(17) 0.0642(12) Uani 1 1 d . . . . .
H71 H 0.1399 0.4367 0.2441 0.077 Uiso 1 1 calc R U . . .
C52 C 0.5131(4) 0.7814(3) 0.2146(2) 0.0682(13) Uani 1 1 d . . . . .
C53 C -0.2081(4) 0.6447(3) 0.12627(18) 0.0793(16) Uani 1 1 d . . . . .
H70 H -0.1807 0.6659 0.1565 0.095 Uiso 1 1 calc R U . . .
C54 C 0.0766(5) 1.0256(3) 0.1973(2) 0.0835(16) Uani 1 1 d . . . . .
H69 H 0.1144 1.0285 0.2295 0.100 Uiso 1 1 calc R U . . .
O4 O -0.0549(6) 0.7185(2) -0.12362(13) 0.167(3) Uani 1 1 d . . . . .
C55 C -0.2436(4) 0.8917(3) 0.0991(2) 0.102(2) Uani 1 1 d . . . . .
H61 H -0.2196 0.9219 0.1258 0.123 Uiso 1 1 calc R U . . .
C56 C 0.3799(5) 0.9194(4) -0.0633(2) 0.100(2) Uani 1 1 d . . . . .
H68 H 0.4324 0.9534 -0.0715 0.119 Uiso 1 1 calc R U . . .
C57 C -0.3972(5) 0.8371(4) 0.0458(3) 0.105(2) Uani 1 1 d . . . . .
H67 H -0.4754 0.8307 0.0356 0.125 Uiso 1 1 calc R U . . .
C58 C 0.2655(5) 1.0857(3) 0.0865(3) 0.096(2) Uani 1 1 d . . . . .
H65 H 0.2351 1.1298 0.0748 0.115 Uiso 1 1 calc R U . . .
C59 C -0.3594(5) 0.8795(4) 0.0846(3) 0.132(3) Uani 1 1 d . . . . .
H64 H -0.4125 0.9012 0.1022 0.159 Uiso 1 1 calc R U . . .
N1 N 0.0119(3) 0.77678(16) 0.22059(11) 0.0433(7) Uani 1 1 d . . . . .
C60 C -0.1936(10) 0.5110(8) 0.2330(5) 0.245(7) Uani 1 1 d . . . . .
H0AC H -0.1882 0.5331 0.2012 0.294 Uiso 0.500(11) 1 calc R U P A 2
H0AD H -0.1183 0.4929 0.2466 0.294 Uiso 0.500(11) 1 calc R U P A 2
H0AA H -0.2204 0.5183 0.1981 0.294 Uiso 0.500(11) 1 calc R U P A 1
H0AB H -0.1177 0.4894 0.2359 0.294 Uiso 0.500(11) 1 calc R U P A 1
F1 F 0.5700(11) 0.7671(18) 0.2570(5) 0.143(9) Uani 0.500(11) 1 d . . P A 2
F2 F 0.5498(13) 0.7490(12) 0.1794(9) 0.124(10) Uani 0.500(11) 1 d . . P A 2
F3 F 0.5478(8) 0.8514(5) 0.2063(8) 0.104(4) Uani 0.500(11) 1 d . . P A 2
F4 F 0.5569(8) 0.7131(6) 0.2246(10) 0.122(4) Uani 0.500(11) 1 d . . P A 1
F5 F 0.5685(11) 0.8183(17) 0.2467(11) 0.169(11) Uani 0.500(11) 1 d . . P A 1
F6 F 0.5434(14) 0.7908(19) 0.1726(6) 0.160(12) Uani 0.500(11) 1 d . . P A 1
Cl2 Cl -0.2824(6) 0.4487(4) 0.2270(4) 0.182(4) Uani 0.500(11) 1 d . . P A 2
Cl3 Cl -0.2429(10) 0.5748(9) 0.2739(5) 0.310(7) Uani 0.500(11) 1 d . . P A 2
Cl4 Cl -0.2774(14) 0.4572(8) 0.2549(8) 0.334(9) Uani 0.500(11) 1 d . . P A 1
Cl5 Cl -0.1843(10) 0.5908(3) 0.2616(2) 0.158(3) Uani 0.500(11) 1 d . . P A 1


_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 Cu2 3.0321(6) . ?
Cu1 P1 2.2613(10) . ?
Cu1 P2 2.2454(10) . ?
Cu1 N2 2.017(3) . ?
Cu1 N1 2.189(3) . ?
Cu2 P3 2.2426(10) . ?
Cu2 P4 2.2432(10) . ?
Cu2 N3 2.032(3) . ?
P3 C2 1.833(3) . ?
P3 C10 1.828(3) . ?
P3 C12 1.822(3) . ?
P1 C2 1.839(3) . ?
P1 C9 1.819(4) . ?
P1 C13 1.835(3) . ?
P2 C3 1.847(3) . ?
P2 C11 1.829(4) . ?
P2 C14 1.819(4) . ?
P4 C3 1.843(3) . ?
P4 C4 1.817(4) . ?
P4 C15 1.823(4) . ?
N3 N2 1.337(4) . ?
N3 C6 1.351(4) . ?
N2 C7 1.346(4) . ?
Cl1 O1 1.418(3) . ?
Cl1 O2 1.417(5) . ?
Cl1 O3 1.420(3) . ?
Cl1 O4 1.394(5) . ?
C1 H53 0.9300 . ?
C1 C6 1.380(5) . ?
C1 C7 1.379(5) . ?
C2 H52A 0.9700 . ?
C2 H52B 0.9700 . ?
C3 H51A 0.9700 . ?
C3 H51B 0.9700 . ?
C4 C31 1.374(5) . ?
C4 C35 1.383(5) . ?
C5 C7 1.453(5) . ?
C5 C8 1.393(5) . ?
C5 N1 1.353(5) . ?
C6 C52 1.477(6) . ?
C8 H46 0.9300 . ?
C8 C27 1.362(6) . ?
C9 C28 1.364(5) . ?
C9 C53 1.370(5) . ?
C10 C16 1.369(5) . ?
C10 C17 1.373(5) . ?
C11 C43 1.349(6) . ?
C11 C55 1.358(6) . ?
C12 C20 1.381(5) . ?
C12 C21 1.385(5) . ?
C13 C18 1.373(5) . ?
C13 C19 1.368(5) . ?
C14 C34 1.372(5) . ?
C14 C42 1.380(5) . ?
C15 C23 1.374(6) . ?
C15 C50 1.384(6) . ?
C16 H38 0.9300 . ?
C16 C32 1.380(5) . ?
C17 H37 0.9300 . ?
C17 C25 1.380(6) . ?
C18 H36 0.9300 . ?
C18 C40 1.383(6) . ?
C19 H35 0.9300 . ?
C19 C39 1.382(5) . ?
C20 H33 0.9300 . ?
C20 C36 1.385(5) . ?
C21 H32 0.9300 . ?
C21 C26 1.377(6) . ?
C22 H31 0.9300 . ?
C22 C27 1.377(7) . ?
C22 C30 1.380(6) . ?
C23 H30 0.9300 . ?
C23 C37 1.388(6) . ?
C24 H28 0.9300 . ?
C24 C26 1.364(7) . ?
C24 C36 1.357(6) . ?
C25 H27 0.9300 . ?
C25 C29 1.361(6) . ?
C26 H25 0.9300 . ?
C27 H24 0.9300 . ?
C28 H23 0.9300 . ?
C28 C47 1.394(6) . ?
C29 H22 0.9300 . ?
C29 C32 1.357(6) . ?
C30 H21 0.9300 . ?
C30 N1 1.334(5) . ?
C31 H20 0.9300 . ?
C31 C58 1.376(7) . ?
C32 H19 0.9300 . ?
C33 H18 0.9300 . ?
C33 C45 1.354(7) . ?
C33 C47 1.350(7) . ?
C34 H17 0.9300 . ?
C34 C54 1.371(6) . ?
C35 H16 0.9300 . ?
C35 C49 1.378(6) . ?
C36 H15 0.9300 . ?
C37 H14 0.9300 . ?
C37 C38 1.349(8) . ?
C38 H13 0.9300 . ?
C38 C56 1.361(8) . ?
C39 H12 0.9300 . ?
C39 C51 1.357(6) . ?
C40 H11 0.9300 . ?
C40 C51 1.354(6) . ?
C41 H10 0.9300 . ?
C41 C43 1.385(7) . ?
C41 C57 1.335(9) . ?
C42 H9 0.9300 . ?
C42 C48 1.380(6) . ?
C43 H7 0.9300 . ?
C44 H6 0.9300 . ?
C44 C48 1.358(7) . ?
C44 C54 1.357(7) . ?
C45 H5 0.9300 . ?
C45 C53 1.368(6) . ?
C46 H4 0.9300 . ?
C46 C49 1.355(8) . ?
C46 C58 1.358(8) . ?
C47 H3 0.9300 . ?
C48 H2 0.9300 . ?
C49 H1 0.9300 . ?
C50 H72 0.9300 . ?
C50 C56 1.381(7) . ?
C51 H71 0.9300 . ?
C52 F1 1.279(11) . ?
C52 F2 1.261(14) . ?
C52 F3 1.386(10) . ?
C52 F4 1.379(10) . ?
C52 F5 1.223(11) . ?
C52 F6 1.260(16) . ?
C53 H70 0.9300 . ?
C54 H69 0.9300 . ?
C55 H61 0.9300 . ?
C55 C59 1.381(8) . ?
C56 H68 0.9300 . ?
C57 H67 0.9300 . ?
C57 C59 1.344(9) . ?
C58 H65 0.9300 . ?
C59 H64 0.9300 . ?
C60 H0AC 0.9700 . ?
C60 H0AD 0.9700 . ?
C60 H0AA 0.9700 . ?
C60 H0AB 0.9700 . ?
C60 Cl2 1.548(17) . ?
C60 Cl3 1.779(16) . ?
C60 Cl4 1.577(17) . ?
C60 Cl5 1.669(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
P1 Cu1 Cu2 87.54(3) . . ?
P2 Cu1 Cu2 89.58(3) . . ?
P2 Cu1 P1 117.86(4) . . ?
N2 Cu1 Cu2 57.52(8) . . ?
N2 Cu1 P1 113.59(8) . . ?
N2 Cu1 P2 116.25(8) . . ?
N2 Cu1 N1 77.38(12) . . ?
N1 Cu1 Cu2 134.89(9) . . ?
N1 Cu1 P1 111.86(8) . . ?
N1 Cu1 P2 113.15(8) . . ?
P3 Cu2 Cu1 93.17(3) . . ?
P3 Cu2 P4 122.69(4) . . ?
P4 Cu2 Cu1 91.22(3) . . ?
N3 Cu2 Cu1 71.89(9) . . ?
N3 Cu2 P3 118.11(9) . . ?
N3 Cu2 P4 117.47(9) . . ?
C2 P3 Cu2 110.86(12) . . ?
C10 P3 Cu2 117.03(11) . . ?
C10 P3 C2 104.67(15) . . ?
C12 P3 Cu2 116.66(12) . . ?
C12 P3 C2 103.77(16) . . ?
C12 P3 C10 102.34(15) . . ?
C2 P1 Cu1 115.52(12) . . ?
C9 P1 Cu1 116.85(12) . . ?
C9 P1 C2 102.90(16) . . ?
C9 P1 C13 100.31(16) . . ?
C13 P1 Cu1 115.24(11) . . ?
C13 P1 C2 103.91(15) . . ?
C3 P2 Cu1 114.16(11) . . ?
C11 P2 Cu1 112.35(12) . . ?
C11 P2 C3 104.04(16) . . ?
C14 P2 Cu1 117.32(12) . . ?
C14 P2 C3 103.18(16) . . ?
C14 P2 C11 104.38(18) . . ?
C3 P4 Cu2 111.06(11) . . ?
C4 P4 Cu2 117.67(13) . . ?
C4 P4 C3 106.05(17) . . ?
C4 P4 C15 103.54(18) . . ?
C15 P4 Cu2 113.22(12) . . ?
C15 P4 C3 104.12(16) . . ?
N2 N3 Cu2 98.21(19) . . ?
N2 N3 C6 106.5(3) . . ?
C6 N3 Cu2 154.9(3) . . ?
N3 N2 Cu1 132.4(2) . . ?
N3 N2 C7 109.6(3) . . ?
C7 N2 Cu1 117.6(2) . . ?
O1 Cl1 O3 108.9(2) . . ?
O2 Cl1 O1 109.2(3) . . ?
O2 Cl1 O3 108.9(3) . . ?
O4 Cl1 O1 109.7(3) . . ?
O4 Cl1 O2 110.8(4) . . ?
O4 Cl1 O3 109.4(3) . . ?
C6 C1 H53 128.1 . . ?
C7 C1 H53 128.1 . . ?
C7 C1 C6 103.9(3) . . ?
P3 C2 P1 112.86(17) . . ?
P3 C2 H52A 109.0 . . ?
P3 C2 H52B 109.0 . . ?
P1 C2 H52A 109.0 . . ?
P1 C2 H52B 109.0 . . ?
H52A C2 H52B 107.8 . . ?
P2 C3 H51A 109.1 . . ?
P2 C3 H51B 109.1 . . ?
P4 C3 P2 112.49(17) . . ?
P4 C3 H51A 109.1 . . ?
P4 C3 H51B 109.1 . . ?
H51A C3 H51B 107.8 . . ?
C31 C4 P4 123.7(3) . . ?
C31 C4 C35 118.5(4) . . ?
C35 C4 P4 117.7(3) . . ?
C8 C5 C7 123.5(4) . . ?
N1 C5 C7 114.8(3) . . ?
N1 C5 C8 121.6(4) . . ?
N3 C6 C1 110.9(3) . . ?
N3 C6 C52 121.0(4) . . ?
C1 C6 C52 128.1(4) . . ?
N2 C7 C1 109.2(3) . . ?
N2 C7 C5 117.0(3) . . ?
C1 C7 C5 133.8(3) . . ?
C5 C8 H46 120.3 . . ?
C27 C8 C5 119.3(4) . . ?
C27 C8 H46 120.3 . . ?
C28 C9 P1 125.8(3) . . ?
C28 C9 C53 117.7(4) . . ?
C53 C9 P1 116.3(3) . . ?
C16 C10 P3 118.3(3) . . ?
C16 C10 C17 118.6(3) . . ?
C17 C10 P3 123.1(3) . . ?
C43 C11 P2 121.2(3) . . ?
C43 C11 C55 118.0(4) . . ?
C55 C11 P2 120.2(4) . . ?
C20 C12 P3 124.8(3) . . ?
C20 C12 C21 118.2(3) . . ?
C21 C12 P3 117.1(3) . . ?
C18 C13 P1 122.9(3) . . ?
C19 C13 P1 118.6(3) . . ?
C19 C13 C18 118.5(3) . . ?
C34 C14 P2 118.9(3) . . ?
C34 C14 C42 118.6(4) . . ?
C42 C14 P2 122.5(3) . . ?
C23 C15 P4 118.8(3) . . ?
C23 C15 C50 118.4(4) . . ?
C50 C15 P4 122.5(3) . . ?
C10 C16 H38 119.8 . . ?
C10 C16 C32 120.4(4) . . ?
C32 C16 H38 119.8 . . ?
C10 C17 H37 119.6 . . ?
C10 C17 C25 120.8(4) . . ?
C25 C17 H37 119.6 . . ?
C13 C18 H36 119.6 . . ?
C13 C18 C40 120.7(4) . . ?
C40 C18 H36 119.6 . . ?
C13 C19 H35 119.8 . . ?
C13 C19 C39 120.5(4) . . ?
C39 C19 H35 119.8 . . ?
C12 C20 H33 119.9 . . ?
C12 C20 C36 120.3(4) . . ?
C36 C20 H33 119.9 . . ?
C12 C21 H32 119.6 . . ?
C26 C21 C12 120.8(4) . . ?
C26 C21 H32 119.6 . . ?
C27 C22 H31 121.1 . . ?
C27 C22 C30 117.8(4) . . ?
C30 C22 H31 121.1 . . ?
C15 C23 H30 119.6 . . ?
C15 C23 C37 120.8(5) . . ?
C37 C23 H30 119.6 . . ?
C26 C24 H28 120.0 . . ?
C36 C24 H28 120.0 . . ?
C36 C24 C26 120.0(4) . . ?
C17 C25 H27 120.1 . . ?
C29 C25 C17 119.8(4) . . ?
C29 C25 H27 120.1 . . ?
C21 C26 H25 119.9 . . ?
C24 C26 C21 120.2(4) . . ?
C24 C26 H25 119.9 . . ?
C8 C27 C22 119.8(4) . . ?
C8 C27 H24 120.1 . . ?
C22 C27 H24 120.1 . . ?
C9 C28 H23 120.0 . . ?
C9 C28 C47 120.0(4) . . ?
C47 C28 H23 120.0 . . ?
C25 C29 H22 120.0 . . ?
C32 C29 C25 120.0(4) . . ?
C32 C29 H22 120.0 . . ?
C22 C30 H21 118.0 . . ?
N1 C30 C22 124.0(4) . . ?
N1 C30 H21 118.0 . . ?
C4 C31 H20 119.6 . . ?
C4 C31 C58 120.8(5) . . ?
C58 C31 H20 119.6 . . ?
C16 C32 H19 119.8 . . ?
C29 C32 C16 120.4(4) . . ?
C29 C32 H19 119.8 . . ?
C45 C33 H18 120.2 . . ?
C47 C33 H18 120.2 . . ?
C47 C33 C45 119.6(4) . . ?
C14 C34 H17 119.7 . . ?
C54 C34 C14 120.5(4) . . ?
C54 C34 H17 119.7 . . ?
C4 C35 H16 120.0 . . ?
C49 C35 C4 120.0(5) . . ?
C49 C35 H16 120.0 . . ?
C20 C36 H15 119.7 . . ?
C24 C36 C20 120.5(4) . . ?
C24 C36 H15 119.7 . . ?
C23 C37 H14 120.1 . . ?
C38 C37 C23 119.7(5) . . ?
C38 C37 H14 120.1 . . ?
C37 C38 H13 119.7 . . ?
C37 C38 C56 120.7(5) . . ?
C56 C38 H13 119.7 . . ?
C19 C39 H12 119.8 . . ?
C51 C39 C19 120.4(4) . . ?
C51 C39 H12 119.8 . . ?
C18 C40 H11 120.0 . . ?
C51 C40 C18 120.1(4) . . ?
C51 C40 H11 120.0 . . ?
C43 C41 H10 119.7 . . ?
C57 C41 H10 119.7 . . ?
C57 C41 C43 120.6(6) . . ?
C14 C42 H9 119.9 . . ?
C48 C42 C14 120.3(4) . . ?
C48 C42 H9 119.9 . . ?
C11 C43 C41 121.2(5) . . ?
C11 C43 H7 119.4 . . ?
C41 C43 H7 119.4 . . ?
C48 C44 H6 120.0 . . ?
C54 C44 H6 120.0 . . ?
C54 C44 C48 120.1(5) . . ?
C33 C45 H5 120.1 . . ?
C33 C45 C53 119.8(5) . . ?
C53 C45 H5 120.1 . . ?
C49 C46 H4 119.9 . . ?
C49 C46 C58 120.2(5) . . ?
C58 C46 H4 119.9 . . ?
C28 C47 H3 119.6 . . ?
C33 C47 C28 120.8(4) . . ?
C33 C47 H3 119.6 . . ?
C42 C48 H2 120.0 . . ?
C44 C48 C42 120.0(5) . . ?
C44 C48 H2 120.0 . . ?
C35 C49 H1 119.7 . . ?
C46 C49 C35 120.5(5) . . ?
C46 C49 H1 119.7 . . ?
C15 C50 H72 119.9 . . ?
C56 C50 C15 120.2(5) . . ?
C56 C50 H72 119.9 . . ?
C39 C51 H71 120.0 . . ?
C40 C51 C39 119.9(4) . . ?
C40 C51 H71 120.0 . . ?
F1 C52 C6 112.7(8) . . ?
F1 C52 F3 102.3(10) . . ?
F2 C52 C6 116.1(7) . . ?
F2 C52 F1 113.6(11) . . ?
F2 C52 F3 100.4(10) . . ?
F3 C52 C6 110.0(6) . . ?
F4 C52 C6 108.8(6) . . ?
F5 C52 C6 116.2(8) . . ?
F5 C52 F4 103.1(12) . . ?
F5 C52 F6 112.6(13) . . ?
F6 C52 C6 114.7(9) . . ?
F6 C52 F4 99.2(10) . . ?
C9 C53 H70 119.0 . . ?
C45 C53 C9 122.0(5) . . ?
C45 C53 H70 119.0 . . ?
C34 C54 H69 119.8 . . ?
C44 C54 C34 120.5(5) . . ?
C44 C54 H69 119.8 . . ?
C11 C55 H61 120.0 . . ?
C11 C55 C59 120.0(6) . . ?
C59 C55 H61 120.0 . . ?
C38 C56 C50 120.2(6) . . ?
C38 C56 H68 119.9 . . ?
C50 C56 H68 119.9 . . ?
C41 C57 H67 120.7 . . ?
C41 C57 C59 118.5(6) . . ?
C59 C57 H67 120.7 . . ?
C31 C58 H65 120.0 . . ?
C46 C58 C31 119.9(5) . . ?
C46 C58 H65 120.0 . . ?
C55 C59 H64 119.2 . . ?
C57 C59 C55 121.5(6) . . ?
C57 C59 H64 119.2 . . ?
C5 N1 Cu1 112.8(2) . . ?
C30 N1 Cu1 129.7(3) . . ?
C30 N1 C5 117.4(3) . . ?
H0AC C60 H0AD 108.6 . . ?
H0AA C60 H0AB 107.8 . . ?
Cl2 C60 H0AC 110.4 . . ?
Cl2 C60 H0AD 110.4 . . ?
Cl2 C60 Cl3 106.5(8) . . ?
Cl3 C60 H0AC 110.4 . . ?
Cl3 C60 H0AD 110.4 . . ?
Cl4 C60 H0AA 109.1 . . ?
Cl4 C60 H0AB 109.1 . . ?
Cl4 C60 Cl5 112.6(10) . . ?
Cl5 C60 H0AA 109.1 . . ?
Cl5 C60 H0AB 109.1 . . ?

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
Cu1 P1 C2 P3 49.6(2) . . . . ?
Cu1 P1 C9 C28 130.7(4) . . . . ?
Cu1 P1 C9 C53 -53.3(4) . . . . ?
Cu1 P1 C13 C18 172.8(3) . . . . ?
Cu1 P1 C13 C19 -4.4(3) . . . . ?
Cu1 P2 C3 P4 -48.5(2) . . . . ?
Cu1 P2 C11 C43 -76.2(4) . . . . ?
Cu1 P2 C11 C55 94.9(4) . . . . ?
Cu1 P2 C14 C34 3.5(4) . . . . ?
Cu1 P2 C14 C42 -177.3(3) . . . . ?
Cu1 N2 C7 C1 174.0(2) . . . . ?
Cu1 N2 C7 C5 -4.8(4) . . . . ?
Cu2 P3 C2 P1 -48.2(2) . . . . ?
Cu2 P3 C10 C16 -8.8(3) . . . . ?
Cu2 P3 C10 C17 172.8(3) . . . . ?
Cu2 P3 C12 C20 -127.3(3) . . . . ?
Cu2 P3 C12 C21 52.6(3) . . . . ?
Cu2 P4 C3 P2 51.8(2) . . . . ?
Cu2 P4 C4 C31 -168.8(3) . . . . ?
Cu2 P4 C4 C35 15.1(3) . . . . ?
Cu2 P4 C15 C23 58.4(3) . . . . ?
Cu2 P4 C15 C50 -115.5(3) . . . . ?
Cu2 N3 N2 Cu1 2.0(3) . . . . ?
Cu2 N3 N2 C7 174.6(2) . . . . ?
Cu2 N3 C6 C1 -167.9(5) . . . . ?
Cu2 N3 C6 C52 13.1(8) . . . . ?
P3 C10 C16 C32 -178.7(3) . . . . ?
P3 C10 C17 C25 179.4(3) . . . . ?
P3 C12 C20 C36 -178.0(4) . . . . ?
P3 C12 C21 C26 177.2(4) . . . . ?
P1 C9 C28 C47 173.5(4) . . . . ?
P1 C9 C53 C45 -174.1(5) . . . . ?
P1 C13 C18 C40 -178.0(4) . . . . ?
P1 C13 C19 C39 177.6(3) . . . . ?
P2 C11 C43 C41 172.6(5) . . . . ?
P2 C11 C55 C59 -172.1(5) . . . . ?
P2 C14 C34 C54 177.8(4) . . . . ?
P2 C14 C42 C48 -176.7(4) . . . . ?
P4 C4 C31 C58 -178.0(4) . . . . ?
P4 C4 C35 C49 176.5(3) . . . . ?
P4 C15 C23 C37 -174.6(4) . . . . ?
P4 C15 C50 C56 173.4(4) . . . . ?
N3 N2 C7 C1 0.1(4) . . . . ?
N3 N2 C7 C5 -178.7(3) . . . . ?
N3 C6 C52 F1 -167.3(17) . . . . ?
N3 C6 C52 F2 -33.7(17) . . . . ?
N3 C6 C52 F3 79.4(11) . . . . ?
N3 C6 C52 F4 -102.8(13) . . . . ?
N3 C6 C52 F5 142(2) . . . . ?
N3 C6 C52 F6 7(2) . . . . ?
N2 N3 C6 C1 0.8(4) . . . . ?
N2 N3 C6 C52 -178.2(4) . . . . ?
C1 C6 C52 F1 14.0(18) . . . . ?
C1 C6 C52 F2 147.5(16) . . . . ?
C1 C6 C52 F3 -99.4(11) . . . . ?
C1 C6 C52 F4 78.5(14) . . . . ?
C1 C6 C52 F5 -37(2) . . . . ?
C1 C6 C52 F6 -171.5(19) . . . . ?
C2 P3 C10 C16 -132.0(3) . . . . ?
C2 P3 C10 C17 49.7(4) . . . . ?
C2 P3 C12 C20 -5.1(4) . . . . ?
C2 P3 C12 C21 174.8(3) . . . . ?
C2 P1 C9 C28 3.0(4) . . . . ?
C2 P1 C9 C53 179.1(4) . . . . ?
C2 P1 C13 C18 -59.8(4) . . . . ?
C2 P1 C13 C19 123.0(3) . . . . ?
C3 P2 C11 C43 47.8(4) . . . . ?
C3 P2 C11 C55 -141.1(4) . . . . ?
C3 P2 C14 C34 -122.9(3) . . . . ?
C3 P2 C14 C42 56.2(4) . . . . ?
C3 P4 C4 C31 -43.8(4) . . . . ?
C3 P4 C4 C35 140.1(3) . . . . ?
C3 P4 C15 C23 -62.4(3) . . . . ?
C3 P4 C15 C50 123.8(4) . . . . ?
C4 P4 C3 P2 -77.1(2) . . . . ?
C4 P4 C15 C23 -173.1(3) . . . . ?
C4 P4 C15 C50 13.0(4) . . . . ?
C4 C31 C58 C46 1.8(9) . . . . ?
C4 C35 C49 C46 1.7(7) . . . . ?
C5 C8 C27 C22 -1.3(7) . . . . ?
C6 N3 N2 Cu1 -173.2(2) . . . . ?
C6 N3 N2 C7 -0.5(4) . . . . ?
C6 C1 C7 N2 0.3(4) . . . . ?
C6 C1 C7 C5 178.8(4) . . . . ?
C7 C1 C6 N3 -0.7(4) . . . . ?
C7 C1 C6 C52 178.2(4) . . . . ?
C7 C5 C8 C27 -178.9(4) . . . . ?
C7 C5 N1 Cu1 4.4(4) . . . . ?
C7 C5 N1 C30 -179.7(3) . . . . ?
C8 C5 C7 N2 178.5(3) . . . . ?
C8 C5 C7 C1 0.1(6) . . . . ?
C8 C5 N1 Cu1 -174.2(3) . . . . ?
C8 C5 N1 C30 1.7(5) . . . . ?
C9 P1 C2 P3 178.10(19) . . . . ?
C9 P1 C13 C18 46.4(4) . . . . ?
C9 P1 C13 C19 -130.8(3) . . . . ?
C9 C28 C47 C33 0.3(9) . . . . ?
C10 P3 C2 P1 78.9(2) . . . . ?
C10 P3 C12 C20 103.6(4) . . . . ?
C10 P3 C12 C21 -76.5(3) . . . . ?
C10 C16 C32 C29 -0.5(6) . . . . ?
C10 C17 C25 C29 -1.0(7) . . . . ?
C11 P2 C3 P4 -171.27(19) . . . . ?
C11 P2 C14 C34 128.6(3) . . . . ?
C11 P2 C14 C42 -52.3(4) . . . . ?
C11 C55 C59 C57 -1.1(12) . . . . ?
C12 P3 C2 P1 -174.16(18) . . . . ?
C12 P3 C10 C16 120.0(3) . . . . ?
C12 P3 C10 C17 -58.3(4) . . . . ?
C12 C20 C36 C24 0.6(8) . . . . ?
C12 C21 C26 C24 0.9(8) . . . . ?
C13 P1 C2 P3 -77.7(2) . . . . ?
C13 P1 C9 C28 -104.0(4) . . . . ?
C13 P1 C9 C53 72.1(4) . . . . ?
C13 C18 C40 C51 0.6(7) . . . . ?
C13 C19 C39 C51 0.4(7) . . . . ?
C14 P2 C3 P4 80.0(2) . . . . ?
C14 P2 C11 C43 155.6(4) . . . . ?
C14 P2 C11 C55 -33.2(4) . . . . ?
C14 C34 C54 C44 0.4(8) . . . . ?
C14 C42 C48 C44 -2.6(8) . . . . ?
C15 P4 C3 P2 173.98(19) . . . . ?
C15 P4 C4 C31 65.5(4) . . . . ?
C15 P4 C4 C35 -110.6(3) . . . . ?
C15 C23 C37 C38 1.3(8) . . . . ?
C15 C50 C56 C38 0.7(9) . . . . ?
C16 C10 C17 C25 1.0(6) . . . . ?
C17 C10 C16 C32 -0.3(6) . . . . ?
C17 C25 C29 C32 0.2(7) . . . . ?
C18 C13 C19 C39 0.3(6) . . . . ?
C18 C40 C51 C39 0.1(8) . . . . ?
C19 C13 C18 C40 -0.8(6) . . . . ?
C19 C39 C51 C40 -0.5(8) . . . . ?
C20 C12 C21 C26 -2.9(6) . . . . ?
C21 C12 C20 C36 2.1(7) . . . . ?
C22 C30 N1 Cu1 173.8(3) . . . . ?
C22 C30 N1 C5 -1.4(6) . . . . ?
C23 C15 C50 C56 -0.5(7) . . . . ?
C23 C37 C38 C56 -1.1(9) . . . . ?
C25 C29 C32 C16 0.6(7) . . . . ?
C26 C24 C36 C20 -2.6(8) . . . . ?
C27 C22 C30 N1 -0.4(7) . . . . ?
C28 C9 C53 C45 2.3(8) . . . . ?
C30 C22 C27 C8 1.7(7) . . . . ?
C31 C4 C35 C49 0.3(6) . . . . ?
C33 C45 C53 C9 0.2(10) . . . . ?
C34 C14 C42 C48 2.5(7) . . . . ?
C35 C4 C31 C58 -2.0(7) . . . . ?
C36 C24 C26 C21 1.8(8) . . . . ?
C37 C38 C56 C50 0.1(9) . . . . ?
C41 C57 C59 C55 2.3(12) . . . . ?
C42 C14 C34 C54 -1.4(7) . . . . ?
C43 C11 C55 C59 -0.7(9) . . . . ?
C43 C41 C57 C59 -1.7(11) . . . . ?
C45 C33 C47 C28 2.2(9) . . . . ?
C47 C33 C45 C53 -2.5(9) . . . . ?
C48 C44 C54 C34 -0.4(9) . . . . ?
C49 C46 C58 C31 0.2(9) . . . . ?
C50 C15 C23 C37 -0.5(7) . . . . ?
C53 C9 C28 C47 -2.5(7) . . . . ?
C54 C44 C48 C42 1.6(9) . . . . ?
C55 C11 C43 C41 1.2(8) . . . . ?
C57 C41 C43 C11 -0.1(10) . . . . ?
C58 C46 C49 C35 -2.0(8) . . . . ?
N1 C5 C7 N2 -0.1(4) . . . . ?
N1 C5 C7 C1 -178.5(4) . . . . ?
N1 C5 C8 C27 -0.4(6) . . . . ?


#===END
