#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:41:49 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179731 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/27/7002721.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7002721
loop_
_publ_author_name
'Qin, Li'
'Zhang, Qisheng'
'Sun, Wei'
'Wang, Jingyun'
'Lu, Canzhong'
'Cheng, Yanxiang'
'Wang, Lixiang'
_publ_section_title
;
 Novel luminescent iminephosphine complex of copper(i) with high
 photochemical and electrochemical stability
;
_journal_issue                   43
_journal_name_full               'Dalton Transactions'
_journal_page_first              9388
_journal_page_last               9391
_journal_paper_doi               10.1039/b916782j
_journal_year                    2009
_chemical_formula_moiety         'C59 H50 B Cu F4 N O2 P3'
_chemical_formula_sum            'C59 H50 B Cu F4 N O2 P3'
_chemical_formula_weight         1048.27
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.285(4)
_cell_angle_beta                 91.635(5)
_cell_angle_gamma                96.309(3)
_cell_formula_units_Z            2
_cell_length_a                   11.023(3)
_cell_length_b                   14.753(4)
_cell_length_c                   16.362(4)
_cell_measurement_reflns_used    6639
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      2.5247
_cell_volume                     2641.2(12)
_computing_cell_refinement       'CrystalClear(Rigaku Corp.,2000)'
_computing_data_collection       'CrystalClear(Rigaku Corp.,2000)'
_computing_data_reduction        'CrystalClear(Rigaku Corp.,2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0208
_diffrn_reflns_av_sigmaI/netI    0.0339
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            20583
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         2.19
_exptl_absorpt_coefficient_mu    0.562
_exptl_absorpt_correction_T_max  0.909
_exptl_absorpt_correction_T_min  0.803
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(R.H. Blessing, 1995&1997)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.318
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1084
_exptl_crystal_size_max          0.3900
_exptl_crystal_size_mid          0.3700
_exptl_crystal_size_min          0.1700
_refine_diff_density_max         0.762
_refine_diff_density_min         -0.562
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     642
_refine_ls_number_reflns         11808
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0673
_refine_ls_R_factor_gt           0.0545
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1190P)²+0.2767P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1584
_refine_ls_wR_factor_ref         0.1771
_reflns_number_gt                9206
_reflns_number_total             11808
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b916782j.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7002721
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.91800(2) 0.234913(18) 0.232480(16) 0.03913(12) Uani 1 1 d . . .
P1 P 1.02981(6) 0.24069(4) 0.11596(4) 0.04268(16) Uani 1 1 d . . .
F1 F 0.5139(4) 0.79368(19) 0.3526(2) 0.1553(15) Uani 1 1 d . . .
O1 O 0.80952(16) 0.26689(12) 0.40617(11) 0.0488(4) Uani 1 1 d . . .
N1 N 1.0177(2) 0.36693(15) 0.25988(14) 0.0512(5) Uani 1 1 d . . .
C1 C 0.9975(3) 0.4202(2) 0.3236(2) 0.0793(11) Uani 1 1 d . . .
H1 H 0.9259 0.4046 0.3532 0.095 Uiso 1 1 calc R . .
B1 B 0.4387(5) 0.7248(3) 0.3190(3) 0.0793(12) Uani 1 1 d . . .
P2 P 0.96457(6) 0.14278(4) 0.33566(3) 0.04046(16) Uani 1 1 d . . .
F2 F 0.3219(4) 0.7439(3) 0.3220(3) 0.1845(19) Uani 1 1 d . . .
O2 O 0.2113(11) 0.3460(15) -0.2345(9) 0.402(11) Uani 1 1 d . . .
H60 H 0.1596 0.3838 -0.2351 0.483 Uiso 1 1 calc R . .
C2 C 1.0741(4) 0.4978(3) 0.3503(3) 0.0946(14) Uani 1 1 d . . .
H2 H 1.0532 0.5343 0.3959 0.114 Uiso 1 1 calc R . .
P3 P 0.71344(5) 0.25054(4) 0.23132(3) 0.03851(15) Uani 1 1 d . . .
F3 F 0.4583(6) 0.7093(5) 0.2415(3) 0.271(4) Uani 1 1 d . . .
C3 C 1.1786(4) 0.5206(2) 0.3107(2) 0.0767(10) Uani 1 1 d . . .
H3 H 1.2323 0.5730 0.3283 0.092 Uiso 1 1 calc R . .
F4 F 0.4466(3) 0.65113(18) 0.3603(3) 0.1514(14) Uani 1 1 d . . .
C5 C 1.3151(3) 0.4832(2) 0.19958(19) 0.0582(7) Uani 1 1 d . . .
H5 H 1.3727 0.5336 0.2164 0.070 Uiso 1 1 calc R . .
C6 C 1.3377(3) 0.4295(2) 0.1348(2) 0.0606(7) Uani 1 1 d . . .
H6 H 1.4114 0.4420 0.1067 0.073 Uiso 1 1 calc R . .
C7 C 1.2529(3) 0.3550(2) 0.10834(18) 0.0560(6) Uani 1 1 d . . .
H7 H 1.2705 0.3179 0.0624 0.067 Uiso 1 1 calc R . .
C8 C 1.1449(2) 0.33492(17) 0.14780(15) 0.0440(5) Uani 1 1 d . . .
C9 C 1.1217(2) 0.38974(16) 0.21739(15) 0.0427(5) Uani 1 1 d . . .
C4 C 1.2068(3) 0.46552(19) 0.24283(16) 0.0515(6) Uani 1 1 d . . .
C10 C 1.1251(3) 0.15629(19) 0.07468(16) 0.0499(6) Uani 1 1 d . . .
C11 C 1.1929(5) 0.1107(3) 0.1257(2) 0.1016(16) Uani 1 1 d . . .
H11 H 1.1863 0.1199 0.1832 0.122 Uiso 1 1 calc R . .
C12 C 1.2710(5) 0.0514(3) 0.0968(3) 0.1052(16) Uani 1 1 d . . .
H12 H 1.3220 0.0247 0.1346 0.126 Uiso 1 1 calc R . .
C13 C 1.2774(4) 0.0306(3) 0.0186(3) 0.0953(14) Uani 1 1 d . . .
H13 H 1.3194 -0.0188 0.0001 0.114 Uiso 1 1 calc R . .
C14 C 1.2208(6) 0.0830(4) -0.0362(3) 0.137(2) Uani 1 1 d . . .
H14 H 1.2339 0.0762 -0.0931 0.164 Uiso 1 1 calc R . .
C15 C 1.1445(5) 0.1457(4) -0.0075(2) 0.1109(18) Uani 1 1 d . . .
H15 H 1.1055 0.1814 -0.0452 0.133 Uiso 1 1 calc R . .
C16 C 0.9571(3) 0.27923(19) 0.02397(15) 0.0487(6) Uani 1 1 d . . .
C17 C 0.8570(3) 0.2226(2) -0.00985(18) 0.0607(7) Uani 1 1 d . . .
H17 H 0.8283 0.1683 0.0162 0.073 Uiso 1 1 calc R . .
C18 C 0.7992(4) 0.2453(3) -0.0817(2) 0.0751(10) Uani 1 1 d . . .
H18 H 0.7323 0.2058 -0.1052 0.090 Uiso 1 1 calc R . .
C19 C 0.8382(4) 0.3242(3) -0.1184(2) 0.0811(11) Uani 1 1 d . . .
H19 H 0.7994 0.3388 -0.1680 0.097 Uiso 1 1 calc R . .
C20 C 0.9326(4) 0.3823(3) -0.0844(2) 0.0796(10) Uani 1 1 d . . .
H20 H 0.9566 0.4384 -0.1090 0.096 Uiso 1 1 calc R . .
C21 C 0.9943(3) 0.3598(2) -0.01360(19) 0.0649(8) Uani 1 1 d . . .
H21 H 1.0617 0.3996 0.0088 0.078 Uiso 1 1 calc R . .
C22 C 1.0176(2) 0.03262(18) 0.30946(15) 0.0479(6) Uani 1 1 d . . .
C23 C 1.0962(3) -0.00789(19) 0.35927(16) 0.0542(6) Uani 1 1 d . . .
H23 H 1.1266 0.0229 0.4090 0.065 Uiso 1 1 calc R . .
C24 C 1.1321(3) -0.0927(2) 0.3387(2) 0.0629(7) Uani 1 1 d . . .
H24 H 1.1872 -0.1192 0.3737 0.075 Uiso 1 1 calc R . .
C25 C 1.0886(5) -0.1373(3) 0.2689(2) 0.0903(13) Uani 1 1 d . . .
H25 H 1.1084 -0.1972 0.2561 0.108 Uiso 1 1 calc R . .
C26 C 1.0161(6) -0.0961(3) 0.2165(3) 0.136(2) Uani 1 1 d . . .
H26 H 0.9908 -0.1258 0.1653 0.163 Uiso 1 1 calc R . .
C27 C 0.9785(5) -0.0118(3) 0.2365(2) 0.1066(18) Uani 1 1 d . . .
H27 H 0.9259 0.0152 0.2000 0.128 Uiso 1 1 calc R . .
C28 C 1.0838(2) 0.19633(17) 0.40702(15) 0.0464(5) Uani 1 1 d . . .
C29 C 1.0753(3) 0.1958(2) 0.49123(17) 0.0650(8) Uani 1 1 d . . .
H29 H 1.0030 0.1686 0.5145 0.078 Uiso 1 1 calc R . .
C30 C 1.1714(4) 0.2348(3) 0.5416(2) 0.0883(12) Uani 1 1 d . . .
H30 H 1.1652 0.2330 0.5994 0.106 Uiso 1 1 calc R . .
C31 C 1.2749(4) 0.2756(3) 0.5094(2) 0.0848(11) Uani 1 1 d . . .
H31 H 1.3402 0.3024 0.5447 0.102 Uiso 1 1 calc R . .
C32 C 1.2854(3) 0.2781(3) 0.4252(2) 0.0766(9) Uani 1 1 d . . .
H32 H 1.3574 0.3068 0.4025 0.092 Uiso 1 1 calc R . .
C33 C 1.1899(3) 0.2385(2) 0.37469(19) 0.0609(7) Uani 1 1 d . . .
H33 H 1.1968 0.2402 0.3170 0.073 Uiso 1 1 calc R . .
C34 C 0.8361(2) 0.11066(18) 0.40070(14) 0.0446(5) Uani 1 1 d . . .
C35 C 0.7988(3) 0.0213(2) 0.42126(18) 0.0570(7) Uani 1 1 d . . .
H35 H 0.8427 -0.0269 0.4024 0.068 Uiso 1 1 calc R . .
C36 C 0.6981(3) 0.0025(2) 0.4690(2) 0.0682(8) Uani 1 1 d . . .
H36 H 0.6722 -0.0587 0.4819 0.082 Uiso 1 1 calc R . .
C37 C 0.6350(3) 0.0729(3) 0.4981(2) 0.0686(8) Uani 1 1 d . . .
H37 H 0.5678 0.0598 0.5325 0.082 Uiso 1 1 calc R . .
C38 C 0.6687(3) 0.1622(2) 0.47758(17) 0.0585(7) Uani 1 1 d . . .
H38 H 0.6250 0.2104 0.4967 0.070 Uiso 1 1 calc R . .
C39 C 0.7682(2) 0.17890(18) 0.42822(14) 0.0458(5) Uani 1 1 d . . .
C40 C 0.7231(2) 0.32707(17) 0.39124(15) 0.0462(5) Uani 1 1 d . . .
C41 C 0.7003(3) 0.3879(2) 0.45363(19) 0.0648(8) Uani 1 1 d . . .
H41 H 0.7365 0.3847 0.5067 0.078 Uiso 1 1 calc R . .
C42 C 0.6235(3) 0.4537(2) 0.4374(2) 0.0747(9) Uani 1 1 d . . .
H42 H 0.6080 0.4966 0.4796 0.090 Uiso 1 1 calc R . .
C43 C 0.5702(3) 0.4578(2) 0.3622(2) 0.0735(9) Uani 1 1 d . . .
H43 H 0.5168 0.5028 0.3522 0.088 Uiso 1 1 calc R . .
C44 C 0.5935(3) 0.3963(2) 0.29980(19) 0.0581(7) Uani 1 1 d . . .
H44 H 0.5555 0.3995 0.2473 0.070 Uiso 1 1 calc R . .
C45 C 0.6719(2) 0.32988(16) 0.31290(15) 0.0441(5) Uani 1 1 d . . .
C46 C 0.6118(2) 0.14662(17) 0.24619(15) 0.0445(5) Uani 1 1 d . . .
C47 C 0.5032(3) 0.1471(2) 0.2864(2) 0.0653(8) Uani 1 1 d . . .
H47 H 0.4784 0.2032 0.3066 0.078 Uiso 1 1 calc R . .
C48 C 0.4304(3) 0.0660(3) 0.2973(2) 0.0814(10) Uani 1 1 d . . .
H48 H 0.3557 0.0669 0.3247 0.098 Uiso 1 1 calc R . .
C49 C 0.4649(4) -0.0146(3) 0.2690(3) 0.0821(11) Uani 1 1 d . . .
H49 H 0.4147 -0.0699 0.2769 0.099 Uiso 1 1 calc R . .
C50 C 0.5713(4) -0.0162(2) 0.2294(3) 0.0893(12) Uani 1 1 d . . .
H50 H 0.5954 -0.0727 0.2097 0.107 Uiso 1 1 calc R . .
C51 C 0.6447(3) 0.0641(2) 0.2178(2) 0.0670(8) Uani 1 1 d . . .
H51 H 0.7188 0.0622 0.1898 0.080 Uiso 1 1 calc R . .
C52 C 0.6509(2) 0.29489(17) 0.13808(14) 0.0442(5) Uani 1 1 d . . .
C53 C 0.7054(3) 0.3770(2) 0.11113(17) 0.0545(6) Uani 1 1 d . . .
H53 H 0.7712 0.4099 0.1422 0.065 Uiso 1 1 calc R . .
C54 C 0.6642(3) 0.4113(2) 0.0389(2) 0.0680(8) Uani 1 1 d . . .
H54 H 0.6997 0.4689 0.0219 0.082 Uiso 1 1 calc R . .
C55 C 0.5726(3) 0.3629(3) -0.00811(19) 0.0706(9) Uani 1 1 d . . .
H55 H 0.5469 0.3855 -0.0585 0.085 Uiso 1 1 calc R . .
C56 C 0.5182(3) 0.2815(3) 0.01784(18) 0.0663(8) Uani 1 1 d . . .
H56 H 0.4538 0.2484 -0.0144 0.080 Uiso 1 1 calc R . .
C57 C 0.5563(3) 0.2472(2) 0.09062(17) 0.0558(6) Uani 1 1 d . . .
H57 H 0.5177 0.1909 0.1082 0.067 Uiso 1 1 calc R . .
C58 C 0.3142(12) 0.2736(10) -0.1606(6) 0.232(5) Uani 1 1 d . . .
H58A H 0.2860 0.2543 -0.1071 0.348 Uiso 1 1 calc R . .
H58B H 0.4010 0.2661 -0.1648 0.348 Uiso 1 1 calc R . .
H58C H 0.2673 0.2362 -0.2039 0.348 Uiso 1 1 calc R . .
C59 C 0.297(2) 0.3696(9) -0.1697(9) 0.317(10) Uani 1 1 d . . .
H59A H 0.2613 0.3978 -0.1212 0.381 Uiso 1 1 calc R . .
H59B H 0.3709 0.4075 -0.1861 0.381 Uiso 1 1 calc R . .
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'
B B 0.0013 0.0007 '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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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 P2 106.96(7) . . ?
N1 Cu1 P3 108.38(7) . . ?
P2 Cu1 P3 109.59(2) . . ?
N1 Cu1 P1 83.25(6) . . ?
P2 Cu1 P1 120.38(3) . . ?
P3 Cu1 P1 122.60(3) . . ?
C8 P1 C16 104.42(12) . . ?
C8 P1 C10 101.44(12) . . ?
C16 P1 C10 102.74(11) . . ?
C8 P1 Cu1 98.82(8) . . ?
C16 P1 Cu1 117.20(9) . . ?
C10 P1 Cu1 128.43(9) . . ?
C39 O1 C40 118.2(2) . . ?
C1 N1 C9 117.5(2) . . ?
C1 N1 Cu1 123.84(19) . . ?
C9 N1 Cu1 117.63(16) . . ?
N1 C1 C2 124.5(3) . . ?
N1 C1 H1 117.8 . . ?
C2 C1 H1 117.8 . . ?
F3 B1 F4 110.8(5) . . ?
F3 B1 F1 112.6(5) . . ?
F4 B1 F1 109.9(4) . . ?
F3 B1 F2 105.6(5) . . ?
F4 B1 F2 107.2(5) . . ?
F1 B1 F2 110.5(4) . . ?
C28 P2 C22 102.95(12) . . ?
C28 P2 C34 103.99(12) . . ?
C22 P2 C34 102.29(12) . . ?
C28 P2 Cu1 113.32(8) . . ?
C22 P2 Cu1 119.01(8) . . ?
C34 P2 Cu1 113.53(8) . . ?
C59 O2 H60 109.5 . . ?
C3 C2 C1 119.2(3) . . ?
C3 C2 H2 120.4 . . ?
C1 C2 H2 120.4 . . ?
C46 P3 C52 103.51(11) . . ?
C46 P3 C45 103.30(11) . . ?
C52 P3 C45 103.56(11) . . ?
C46 P3 Cu1 115.93(8) . . ?
C52 P3 Cu1 115.88(8) . . ?
C45 P3 Cu1 113.08(9) . . ?
C2 C3 C4 119.2(3) . . ?
C2 C3 H3 120.4 . . ?
C4 C3 H3 120.4 . . ?
C6 C5 C4 120.7(3) . . ?
C6 C5 H5 119.6 . . ?
C4 C5 H5 119.6 . . ?
C5 C6 C7 120.5(3) . . ?
C5 C6 H6 119.7 . . ?
C7 C6 H6 119.7 . . ?
C8 C7 C6 121.3(3) . . ?
C8 C7 H7 119.3 . . ?
C6 C7 H7 119.3 . . ?
C7 C8 C9 118.5(2) . . ?
C7 C8 P1 123.7(2) . . ?
C9 C8 P1 117.72(18) . . ?
N1 C9 C8 118.9(2) . . ?
N1 C9 C4 121.4(2) . . ?
C8 C9 C4 119.7(2) . . ?
C5 C4 C3 122.7(3) . . ?
C5 C4 C9 119.2(2) . . ?
C3 C4 C9 118.1(3) . . ?
C11 C10 C15 116.8(3) . . ?
C11 C10 P1 120.2(2) . . ?
C15 C10 P1 122.3(2) . . ?
C10 C11 C12 121.7(3) . . ?
C10 C11 H11 119.1 . . ?
C12 C11 H11 119.1 . . ?
C13 C12 C11 122.0(4) . . ?
C13 C12 H12 119.0 . . ?
C11 C12 H12 119.0 . . ?
C12 C13 C14 117.8(3) . . ?
C12 C13 H13 121.1 . . ?
C14 C13 H13 121.1 . . ?
C13 C14 C15 119.8(4) . . ?
C13 C14 H14 120.1 . . ?
C15 C14 H14 120.1 . . ?
C10 C15 C14 120.6(4) . . ?
C10 C15 H15 119.7 . . ?
C14 C15 H15 119.7 . . ?
C21 C16 C17 118.8(3) . . ?
C21 C16 P1 124.7(2) . . ?
C17 C16 P1 116.6(2) . . ?
C18 C17 C16 120.2(3) . . ?
C18 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?
C19 C18 C17 120.2(4) . . ?
C19 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
C20 C19 C18 120.4(3) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C19 C20 C21 120.5(4) . . ?
C19 C20 H20 119.8 . . ?
C21 C20 H20 119.8 . . ?
C16 C21 C20 119.9(3) . . ?
C16 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C23 C22 C27 118.1(3) . . ?
C23 C22 P2 122.9(2) . . ?
C27 C22 P2 119.0(2) . . ?
C22 C23 C24 121.5(3) . . ?
C22 C23 H23 119.3 . . ?
C24 C23 H23 119.3 . . ?
C25 C24 C23 119.8(3) . . ?
C25 C24 H24 120.1 . . ?
C23 C24 H24 120.1 . . ?
C24 C25 C26 119.6(3) . . ?
C24 C25 H25 120.2 . . ?
C26 C25 H25 120.2 . . ?
C25 C26 C27 121.2(3) . . ?
C25 C26 H26 119.4 . . ?
C27 C26 H26 119.4 . . ?
C22 C27 C26 119.6(3) . . ?
C22 C27 H27 120.2 . . ?
C26 C27 H27 120.2 . . ?
C29 C28 C33 118.5(3) . . ?
C29 C28 P2 123.6(2) . . ?
C33 C28 P2 117.9(2) . . ?
C30 C29 C28 120.4(3) . . ?
C30 C29 H29 119.8 . . ?
C28 C29 H29 119.8 . . ?
C31 C30 C29 120.7(3) . . ?
C31 C30 H30 119.7 . . ?
C29 C30 H30 119.7 . . ?
C30 C31 C32 120.2(3) . . ?
C30 C31 H31 119.9 . . ?
C32 C31 H31 119.9 . . ?
C33 C32 C31 119.3(3) . . ?
C33 C32 H32 120.4 . . ?
C31 C32 H32 120.4 . . ?
C32 C33 C28 121.0(3) . . ?
C32 C33 H33 119.5 . . ?
C28 C33 H33 119.5 . . ?
C39 C34 C35 118.0(2) . . ?
C39 C34 P2 117.90(19) . . ?
C35 C34 P2 124.1(2) . . ?
C36 C35 C34 120.4(3) . . ?
C36 C35 H35 119.8 . . ?
C34 C35 H35 119.8 . . ?
C35 C36 C37 120.1(3) . . ?
C35 C36 H36 120.0 . . ?
C37 C36 H36 120.0 . . ?
C38 C37 C36 120.8(3) . . ?
C38 C37 H37 119.6 . . ?
C36 C37 H37 119.6 . . ?
C37 C38 C39 118.0(3) . . ?
C37 C38 H38 121.0 . . ?
C39 C38 H38 121.0 . . ?
C38 C39 C34 122.7(3) . . ?
C38 C39 O1 121.5(2) . . ?
C34 C39 O1 115.7(2) . . ?
C41 C40 C45 122.2(3) . . ?
C41 C40 O1 118.0(2) . . ?
C45 C40 O1 119.5(2) . . ?
C40 C41 C42 118.7(3) . . ?
C40 C41 H41 120.7 . . ?
C42 C41 H41 120.7 . . ?
C43 C42 C41 120.9(3) . . ?
C43 C42 H42 119.5 . . ?
C41 C42 H42 119.5 . . ?
C42 C43 C44 120.0(3) . . ?
C42 C43 H43 120.0 . . ?
C44 C43 H43 120.0 . . ?
C43 C44 C45 121.1(3) . . ?
C43 C44 H44 119.5 . . ?
C45 C44 H44 119.5 . . ?
C40 C45 C44 117.1(2) . . ?
C40 C45 P3 119.66(18) . . ?
C44 C45 P3 123.2(2) . . ?
C51 C46 C47 118.2(3) . . ?
C51 C46 P3 119.2(2) . . ?
C47 C46 P3 122.6(2) . . ?
C46 C47 C48 120.3(3) . . ?
C46 C47 H47 119.9 . . ?
C48 C47 H47 119.9 . . ?
C49 C48 C47 120.5(3) . . ?
C49 C48 H48 119.7 . . ?
C47 C48 H48 119.7 . . ?
C48 C49 C50 119.9(3) . . ?
C48 C49 H49 120.1 . . ?
C50 C49 H49 120.1 . . ?
C49 C50 C51 120.3(3) . . ?
C49 C50 H50 119.8 . . ?
C51 C50 H50 119.8 . . ?
C46 C51 C50 120.8(3) . . ?
C46 C51 H51 119.6 . . ?
C50 C51 H51 119.6 . . ?
C53 C52 C57 118.7(2) . . ?
C53 C52 P3 118.3(2) . . ?
C57 C52 P3 122.9(2) . . ?
C52 C53 C54 120.2(3) . . ?
C52 C53 H53 119.9 . . ?
C54 C53 H53 119.9 . . ?
C55 C54 C53 120.5(3) . . ?
C55 C54 H54 119.8 . . ?
C53 C54 H54 119.8 . . ?
C54 C55 C56 119.8(3) . . ?
C54 C55 H55 120.1 . . ?
C56 C55 H55 120.1 . . ?
C55 C56 C57 120.5(3) . . ?
C55 C56 H56 119.7 . . ?
C57 C56 H56 119.7 . . ?
C56 C57 C52 120.3(3) . . ?
C56 C57 H57 119.9 . . ?
C52 C57 H57 119.9 . . ?
C59 C58 H58A 109.5 . . ?
C59 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C59 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
O2 C59 C58 90.9(12) . . ?
O2 C59 H59A 113.5 . . ?
C58 C59 H59A 113.5 . . ?
O2 C59 H59B 113.5 . . ?
C58 C59 H59B 113.5 . . ?
H59A C59 H59B 110.8 . . ?
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 2.153(2) . ?
Cu1 P2 2.2909(7) . ?
Cu1 P3 2.2913(8) . ?
Cu1 P1 2.2990(8) . ?
P1 C8 1.825(3) . ?
P1 C16 1.825(3) . ?
P1 C10 1.836(3) . ?
F1 B1 1.328(5) . ?
O1 C39 1.393(3) . ?
O1 C40 1.395(3) . ?
N1 C1 1.319(4) . ?
N1 C9 1.375(3) . ?
C1 C2 1.394(5) . ?
C1 H1 0.9500 . ?
B1 F3 1.309(6) . ?
B1 F4 1.312(5) . ?
B1 F2 1.349(6) . ?
P2 C28 1.824(3) . ?
P2 C22 1.826(3) . ?
P2 C34 1.828(3) . ?
O2 C59 1.40(2) . ?
O2 H60 0.8400 . ?
C2 C3 1.356(5) . ?
C2 H2 0.9500 . ?
P3 C46 1.826(3) . ?
P3 C52 1.830(2) . ?
P3 C45 1.841(2) . ?
C3 C4 1.411(4) . ?
C3 H3 0.9500 . ?
C5 C6 1.342(4) . ?
C5 C4 1.410(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.408(4) . ?
C6 H6 0.9500 . ?
C7 C8 1.380(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.416(3) . ?
C9 C4 1.419(4) . ?
C10 C11 1.352(4) . ?
C10 C15 1.374(5) . ?
C11 C12 1.374(5) . ?
C11 H11 0.9500 . ?
C12 C13 1.309(6) . ?
C12 H12 0.9500 . ?
C13 C14 1.386(7) . ?
C13 H13 0.9500 . ?
C14 C15 1.394(5) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C21 1.388(4) . ?
C16 C17 1.395(4) . ?
C17 C18 1.391(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.364(6) . ?
C18 H18 0.9500 . ?
C19 C20 1.363(6) . ?
C19 H19 0.9500 . ?
C20 C21 1.396(4) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 C23 1.373(4) . ?
C22 C27 1.374(4) . ?
C23 C24 1.385(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.344(5) . ?
C24 H24 0.9500 . ?
C25 C26 1.360(6) . ?
C25 H25 0.9500 . ?
C26 C27 1.384(5) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 C29 1.384(4) . ?
C28 C33 1.391(4) . ?
C29 C30 1.383(5) . ?
C29 H29 0.9500 . ?
C30 C31 1.360(6) . ?
C30 H30 0.9500 . ?
C31 C32 1.388(6) . ?
C31 H31 0.9500 . ?
C32 C33 1.381(5) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C34 C39 1.388(4) . ?
C34 C35 1.394(4) . ?
C35 C36 1.386(4) . ?
C35 H35 0.9500 . ?
C36 C37 1.389(5) . ?
C36 H36 0.9500 . ?
C37 C38 1.385(5) . ?
C37 H37 0.9500 . ?
C38 C39 1.386(4) . ?
C38 H38 0.9500 . ?
C40 C41 1.379(4) . ?
C40 C45 1.390(4) . ?
C41 C42 1.385(5) . ?
C41 H41 0.9500 . ?
C42 C43 1.356(5) . ?
C42 H42 0.9500 . ?
C43 C44 1.386(4) . ?
C43 H43 0.9500 . ?
C44 C45 1.395(4) . ?
C44 H44 0.9500 . ?
C46 C51 1.376(4) . ?
C46 C47 1.383(4) . ?
C47 C48 1.385(5) . ?
C47 H47 0.9500 . ?
C48 C49 1.356(6) . ?
C48 H48 0.9500 . ?
C49 C50 1.358(6) . ?
C49 H49 0.9500 . ?
C50 C51 1.382(5) . ?
C50 H50 0.9500 . ?
C51 H51 0.9500 . ?
C52 C53 1.386(4) . ?
C52 C57 1.390(4) . ?
C53 C54 1.389(4) . ?
C53 H53 0.9500 . ?
C54 C55 1.369(5) . ?
C54 H54 0.9500 . ?
C55 C56 1.370(5) . ?
C55 H55 0.9500 . ?
C56 C57 1.385(4) . ?
C56 H56 0.9500 . ?
C57 H57 0.9500 . ?
C58 C59 1.462(15) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
