#------------------------------------------------------------------------------
#$Date: 2019-11-23 20:55:52 +0200 (Sat, 23 Nov 2019) $
#$Revision: 234956 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/96/4349656.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_4349656
loop_
_publ_author_name
'Washimi, Masaya'
'Nishikawa, Michihiro'
'Shimoda, Naohiro'
'Satokawa, Shigeo'
'Tsubomura, Taro'
_publ_section_title
;
 Blue and orange oxygen responsive emissions in the solid state based on
 copper(i) complexes bearing dodecafluorinated diphosphine and
 1,10-phenanthroline derivative ligands
;
_journal_issue                   4
_journal_name_full               'Inorganic Chemistry Frontiers'
_journal_page_first              639
_journal_paper_doi               10.1039/C6QI00577B
_journal_volume                  4
_journal_year                    2017
_chemical_formula_sum            'C46 H29 Cu F26 N2 O P3'
_chemical_formula_weight         1276.17
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2016-09-16T14:55:07-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2016-12-13 deposited with the CCDC.
2017-01-22 downloaded from the CCDC.
;
_cell_angle_alpha                102.324(11)
_cell_angle_beta                 103.240(11)
_cell_angle_gamma                103.489(11)
_cell_formula_units_Z            2
_cell_length_a                   11.624(14)
_cell_length_b                   11.849(14)
_cell_length_c                   19.35(2)
_cell_measurement_reflns_used    4617
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      2.9999
_cell_volume                     2420(5)
_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
;
        ????
;
_diffrn_ambient_temperature      123
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.933
_diffrn_measurement_device
;
        Saturn70 CCD (4x4 bin mode)
;
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0893
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            22349
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3
_exptl_absorpt_coefficient_mu    0.692
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.5336
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.751
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1156
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         3.932
_refine_diff_density_min         -1.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     712
_refine_ls_number_reflns         10359
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_gt           0.1095
_refine_ls_shift/su_max          0.036
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1839P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.3289
_reflns_number_gt                4986
_reflns_number_total             10359
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6qi00577b2.cif
_cod_data_source_block           auto
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4349656
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_calc_flag
_atom_site_refinement_flags
Cu1 Cu 0.85569(9) 0.21013(8) 0.22514(5) 0.0285(3) Uani 1 d .
P1 P 1.00397(19) 0.39271(18) 0.25264(11) 0.0275(5) Uani 1 d .
P2 P 0.9006(2) 0.21363(18) 0.34440(11) 0.0288(5) Uani 1 d .
P3 P 0.3168(2) 0.2220(2) 0.29052(13) 0.0400(6) Uani 1 d .
F5 F 1.0636(4) 0.2520(4) 0.1209(3) 0.0400(12) Uani 1 d .
F11 F 0.8424(4) 0.3594(4) 0.4874(3) 0.0409(12) Uani 1 d .
F15 F 0.6908(5) -0.0068(4) 0.2936(3) 0.0468(13) Uani 1 d .
F6 F 0.9972(4) 0.6324(4) 0.3686(3) 0.0372(11) Uani 1 d .
F7 F 0.8567(5) 0.7758(5) 0.3388(3) 0.0455(13) Uani 1 d .
F10 F 0.8470(5) 0.4045(4) 0.1153(2) 0.0398(12) Uani 1 d .
F24 F 0.1691(5) 0.2032(5) 0.2692(3) 0.0488(13) Uani 1 d .
F16 F 1.0487(5) 0.2290(5) 0.5047(3) 0.0498(14) Uani 1 d .
F12 F 0.6391(5) 0.2991(5) 0.5297(3) 0.0518(14) Uani 1 d .
F1 F 1.2051(5) 0.6389(4) 0.2954(3) 0.0415(12) Uani 1 d .
F9 F 0.7097(5) 0.5550(5) 0.0866(3) 0.0532(15) Uani 1 d .
F4 F 1.2340(5) 0.3255(4) 0.0547(3) 0.0479(13) Uani 1 d .
F20 F 0.9503(5) -0.0037(4) 0.2553(3) 0.0449(13) Uani 1 d .
F18 F 1.2266(5) -0.0815(5) 0.4440(3) 0.0509(14) Uani 1 d .
F3 F 1.3926(5) 0.5530(5) 0.1081(3) 0.0611(16) Uani 1 d .
F19 F 1.1028(5) -0.1289(5) 0.2988(3) 0.0523(14) Uani 1 d .
F8 F 0.7165(5) 0.7416(5) 0.1988(3) 0.0587(16) Uani 1 d .
F2 F 1.3758(5) 0.7114(4) 0.2276(3) 0.0567(16) Uani 1 d .
F25 F 0.3402(5) 0.3659(5) 0.3059(3) 0.0596(16) Uani 1 d .
F13 F 0.4600(5) 0.0858(5) 0.4573(3) 0.0540(15) Uani 1 d .
F17 F 1.2025(6) 0.0999(5) 0.5471(3) 0.0614(17) Uani 1 d .
F14 F 0.4865(5) -0.0680(5) 0.3393(3) 0.0602(16) Uani 1 d .
F26 F 0.3085(6) 0.2119(5) 0.2047(3) 0.0548(15) Uani 1 d .
F22 F 0.2929(7) 0.0796(5) 0.2751(4) 0.0708(19) Uani 1 d .
F23 F 0.3197(6) 0.2327(6) 0.3747(3) 0.0693(18) Uani 1 d .
C17 C 0.6518(8) 0.2261(8) 0.4711(4) 0.035(2) Uani 1 d .
N1 N 0.8231(6) 0.0919(5) 0.1231(3) 0.0249(14) Uani 1 d .
F21 F 0.4644(6) 0.2441(7) 0.3116(4) 0.0732(19) Uani 1 d .
O100 O 0.7297(7) 0.5043(7) 0.3670(4) 0.0583(19) Uani 1 d .
C32 C 0.5305(8) 0.3275(8) 0.1535(5) 0.041(2) Uani 1 d .
H32 H 0.4869 0.3781 0.1738 0.049 Uiso 1 calc R
C9 C 0.8560(8) 0.6850(8) 0.2836(5) 0.0352(19) Uani 1 d .
C13 C 0.7734(7) 0.1810(7) 0.3874(4) 0.0292(18) Uani 1 d .
C5 C 1.2276(7) 0.4004(8) 0.1145(4) 0.0322(18) Uani 1 d .
N2 N 0.6915(6) 0.2326(6) 0.1731(3) 0.0284(15) Uani 1 d .
C34 C 0.7005(7) 0.0516(7) -0.0060(4) 0.0296(18) Uani 1 d .
C27 C 0.8871(7) 0.0222(7) 0.0992(4) 0.0287(17) Uani 1 d .
H27 H 0.9532 0.0125 0.1344 0.034 Uiso 1 calc R
C19 C 0.9979(7) 0.1222(7) 0.3786(4) 0.0273(17) Uani 1 d .
C3 C 1.2983(8) 0.5970(8) 0.2014(5) 0.040(2) Uani 1 d .
C8 C 0.9263(7) 0.6078(7) 0.2974(4) 0.0333(19) Uani 1 d .
C35 C 0.5644(7) 0.2037(7) 0.0468(4) 0.0250(16) Uani 1 d .
C29 C 0.8627(7) -0.0387(7) 0.0241(5) 0.0324(18) Uani 1 d .
H29 H 0.9103 -0.0896 0.0096 0.039 Uiso 1 calc R
C18 C 0.7537(7) 0.2539(7) 0.4469(4) 0.0327(19) Uani 1 d .
C38 C 0.5386(7) 0.1504(7) -0.0321(4) 0.0308(18) Uani 1 d .
C24 C 1.0639(8) 0.1427(7) 0.4520(5) 0.0330(18) Uani 1 d .
C30 C 0.7289(7) 0.1073(7) 0.0709(4) 0.0269(17) Uani 1 d .
C31 C 0.6603(7) 0.1814(6) 0.0976(4) 0.0248(16) Uani 1 d .
C1 C 1.1275(7) 0.4422(7) 0.2113(4) 0.0313(18) Uani 1 d .
C16 C 0.5580(8) 0.1143(8) 0.4332(5) 0.036(2) Uani 1 d .
C12 C 0.8514(7) 0.4970(7) 0.1720(4) 0.0314(18) Uani 1 d .
C26 C 1.0848(7) 0.4223(7) 0.3518(4) 0.0314(18) Uani 1 d .
H26A H 1.1505 0.3817 0.357 0.038 Uiso 1 calc R
H26B H 1.1243 0.5103 0.3745 0.038 Uiso 1 calc R
C14 C 0.6766(8) 0.0694(8) 0.3505(4) 0.0346(19) Uani 1 d .
C33 C 0.7694(7) -0.0238(7) -0.0281(4) 0.0334(19) Uani 1 d .
H33 H 0.7518 -0.0647 -0.0789 0.04 Uiso 1 calc R
C7 C 0.9260(7) 0.5111(7) 0.2430(4) 0.0309(18) Uani 1 d .
C36 C 0.5016(8) 0.2791(8) 0.0781(5) 0.037(2) Uani 1 d .
H36 H 0.4372 0.2971 0.0464 0.045 Uiso 1 calc R
C10 C 0.7822(8) 0.6659(8) 0.2114(5) 0.041(2) Uani 1 d .
C2 C 1.2126(8) 0.5605(7) 0.2368(5) 0.0343(19) Uani 1 d .
C21 C 1.0899(7) -0.0424(7) 0.3490(5) 0.0338(19) Uani 1 d .
C39 C 0.5765(8) 0.0195(8) -0.1404(4) 0.039(2) Uani 1 d .
H39A H 0.6306 -0.0313 -0.148 0.058 Uiso 1 calc R
H39B H 0.5923 0.0835 -0.1648 0.058 Uiso 1 calc R
H39C H 0.4898 -0.0302 -0.1615 0.058 Uiso 1 calc R
C6 C 1.1411(8) 0.3674(7) 0.1505(4) 0.0334(19) Uani 1 d .
C28 C 0.6268(7) 0.2999(7) 0.1997(5) 0.0317(18) Uani 1 d .
H28 H 0.6458 0.3308 0.2518 0.038 Uiso 1 calc R
C22 C 1.1538(8) -0.0146(8) 0.4228(5) 0.037(2) Uani 1 d .
C15 C 0.5746(8) 0.0406(8) 0.3761(5) 0.040(2) Uani 1 d .
C4 C 1.3069(9) 0.5192(8) 0.1421(6) 0.045(2) Uani 1 d .
C068 C 0.6583(10) 0.5512(9) 0.3888(5) 0.052(3) Uani 1 d .
C37 C 0.6023(8) 0.0757(7) -0.0583(4) 0.0329(19) Uani 1 d .
C11 C 0.7831(8) 0.5740(9) 0.1561(5) 0.040(2) Uani 1 d .
C40 C 0.4365(8) 0.1792(8) -0.0845(5) 0.041(2) Uani 1 d .
H40A H 0.4026 0.2345 -0.0556 0.062 Uiso 1 calc R
H40B H 0.3705 0.1042 -0.1129 0.062 Uiso 1 calc R
H40C H 0.4709 0.2174 -0.1185 0.062 Uiso 1 calc R
C20 C 1.0135(8) 0.0302(7) 0.3278(5) 0.038(2) Uani 1 d .
C25 C 0.9899(7) 0.3736(7) 0.3922(4) 0.0275(17) Uani 1 d .
H25A H 0.9323 0.4233 0.3938 0.033 Uiso 1 calc R
H25B H 1.0347 0.3809 0.4439 0.033 Uiso 1 calc R
C23 C 1.1396(7) 0.0748(9) 0.4734(5) 0.036(2) Uani 1 d .
C076 C 0.6376(11) 0.5525(11) 0.4626(6) 0.065(3) Uani 1 d .
H07A H 0.5749 0.5932 0.4691 0.097 Uiso 1 calc R
H07B H 0.7153 0.5959 0.502 0.097 Uiso 1 calc R
H07C H 0.6092 0.4692 0.4651 0.097 Uiso 1 calc R
C100 C 0.5778(10) 0.6062(12) 0.3415(7) 0.076(4) Uani 1 d .
H10A H 0.5972 0.6003 0.2944 0.115 Uiso 1 calc R
H10B H 0.5935 0.6914 0.3674 0.115 Uiso 1 calc R
H10C H 0.4905 0.5625 0.332 0.115 Uiso 1 calc R
C201 C 0.9234(14) 0.3239(10) 0.9572(7) 0.078(4) Uani 1 d .
H20A H 0.8367 0.3214 0.9542 0.094 Uiso 1 calc R
H20B H 0.9576 0.2989 1.0012 0.094 Uiso 1 calc R
C200 C 0.9974(13) 0.4504(10) 0.9651(7) 0.072(3) Uani 1 d .
H20C H 0.9625 0.4734 0.9204 0.087 Uiso 1 calc R
H20D H 1.0832 0.4506 0.9666 0.087 Uiso 1 calc R
C202 C 0.9268(13) 0.2332(13) 0.8852(7) 0.083(4) Uani 1 d .
H20E H 0.8785 0.1511 0.8811 0.125 Uiso 1 calc R
H20F H 1.0127 0.2353 0.8883 0.125 Uiso 1 calc R
H20G H 0.8913 0.257 0.8415 0.125 Uiso 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 0 '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'
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'
O O 0.0106 0.006 '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
N2 Cu1 N1 81.8(3) . .
N2 Cu1 P2 120.36(19) . .
N1 Cu1 P2 139.43(19) . .
N2 Cu1 P1 106.4(2) . .
N1 Cu1 P1 116.14(19) . .
P2 Cu1 P1 91.20(8) . .
C1 P1 C26 104.7(4) . .
C1 P1 C7 98.7(4) . .
C26 P1 C7 108.2(4) . .
C1 P1 Cu1 131.5(3) . .
C26 P1 Cu1 103.4(3) . .
C7 P1 Cu1 108.8(3) . .
C25 P2 C19 106.2(4) . .
C25 P2 C13 105.1(4) . .
C19 P2 C13 102.1(4) . .
C25 P2 Cu1 102.8(3) . .
C19 P2 Cu1 119.6(3) . .
C13 P2 Cu1 119.7(3) . .
F22 P3 F23 89.7(3) . .
F22 P3 F25 179.7(4) . .
F23 P3 F25 90.3(3) . .
F22 P3 F21 91.0(4) . .
F23 P3 F21 91.0(4) . .
F25 P3 F21 89.4(3) . .
F22 P3 F26 90.9(3) . .
F23 P3 F26 177.7(4) . .
F25 P3 F26 89.0(3) . .
F21 P3 F26 91.2(3) . .
F22 P3 F24 90.5(3) . .
F23 P3 F24 89.4(3) . .
F25 P3 F24 89.2(3) . .
F21 P3 F24 178.5(3) . .
F26 P3 F24 88.4(3) . .
F12 C17 C18 122.0(8) . .
F12 C17 C16 119.3(8) . .
C18 C17 C16 118.7(8) . .
C27 N1 C30 117.6(6) . .
C27 N1 Cu1 130.8(5) . .
C30 N1 Cu1 110.6(5) . .
C36 C32 C28 118.1(8) . .
C36 C32 H32 120.9 . .
C28 C32 H32 120.9 . .
F7 C9 C8 120.6(7) . .
F7 C9 C10 120.0(7) . .
C8 C9 C10 119.4(8) . .
C18 C13 C14 114.8(7) . .
C18 C13 P2 128.9(6) . .
C14 C13 P2 116.1(6) . .
F4 C5 C6 122.2(7) . .
F4 C5 C4 120.6(7) . .
C6 C5 C4 117.1(8) . .
C28 N2 C31 119.4(7) . .
C28 N2 Cu1 129.5(5) . .
C31 N2 Cu1 110.3(5) . .
C33 C34 C30 117.4(7) . .
C33 C34 C37 123.1(7) . .
C30 C34 C37 119.5(7) . .
N1 C27 C29 123.3(8) . .
N1 C27 H27 118.3 . .
C29 C27 H27 118.3 . .
C20 C19 C24 116.0(7) . .
C20 C19 P2 118.6(6) . .
C24 C19 P2 125.2(6) . .
C4 C3 F2 120.3(8) . .
C4 C3 C2 120.5(8) . .
F2 C3 C2 119.2(8) . .
F6 C8 C7 120.9(7) . .
F6 C8 C9 116.3(7) . .
C7 C8 C9 122.8(7) . .
C36 C35 C31 115.9(7) . .
C36 C35 C38 124.5(7) . .
C31 C35 C38 119.5(7) . .
C33 C29 C27 119.4(8) . .
C33 C29 H29 120.3 . .
C27 C29 H29 120.3 . .
F11 C18 C17 115.9(8) . .
F11 C18 C13 119.3(7) . .
C17 C18 C13 124.8(8) . .
C37 C38 C35 121.1(7) . .
C37 C38 C40 121.4(7) . .
C35 C38 C40 117.5(8) . .
F16 C24 C23 118.9(7) . .
F16 C24 C19 118.7(7) . .
C23 C24 C19 122.4(8) . .
N1 C30 C31 116.8(7) . .
N1 C30 C34 122.5(7) . .
C31 C30 C34 120.6(7) . .
N2 C31 C30 118.2(7) . .
N2 C31 C35 122.1(7) . .
C30 C31 C35 119.7(7) . .
C6 C1 C2 114.7(7) . .
C6 C1 P1 121.8(6) . .
C2 C1 P1 123.4(6) . .
F13 C16 C15 122.7(8) . .
F13 C16 C17 118.9(8) . .
C15 C16 C17 118.3(8) . .
F10 C12 C11 117.9(7) . .
F10 C12 C7 118.9(7) . .
C11 C12 C7 123.2(8) . .
C25 C26 P1 109.6(5) . .
C25 C26 H26A 109.8 . .
P1 C26 H26A 109.8 . .
C25 C26 H26B 109.8 . .
P1 C26 H26B 109.8 . .
H26A C26 H26B 108.2 . .
F15 C14 C15 121.6(8) . .
F15 C14 C13 118.1(7) . .
C15 C14 C13 120.2(8) . .
C29 C33 C34 119.7(7) . .
C29 C33 H33 120.1 . .
C34 C33 H33 120.1 . .
C8 C7 C12 115.3(7) . .
C8 C7 P1 128.6(6) . .
C12 C7 P1 116.0(6) . .
C32 C36 C35 121.9(8) . .
C32 C36 H36 119 . .
C35 C36 H36 119 . .
F8 C10 C11 121.9(8) . .
F8 C10 C9 118.7(8) . .
C11 C10 C9 119.3(8) . .
F1 C2 C3 119.6(7) . .
F1 C2 C1 118.5(7) . .
C3 C2 C1 121.8(8) . .
F19 C21 C22 121.6(7) . .
F19 C21 C20 120.5(7) . .
C22 C21 C20 117.8(8) . .
C37 C39 H39A 109.5 . .
C37 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C37 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
F5 C6 C1 119.7(7) . .
F5 C6 C5 115.4(7) . .
C1 C6 C5 124.9(8) . .
N2 C28 C32 122.4(8) . .
N2 C28 H28 118.8 . .
C32 C28 H28 118.8 . .
F18 C22 C23 120.5(8) . .
F18 C22 C21 118.8(8) . .
C23 C22 C21 120.7(8) . .
C16 C15 F14 119.5(8) . .
C16 C15 C14 123.2(8) . .
F14 C15 C14 117.3(9) . .
F3 C4 C3 121.0(8) . .
F3 C4 C5 118.0(8) . .
C3 C4 C5 120.9(8) . .
O100 C068 C076 122.4(11) . .
O100 C068 C100 122.0(10) . .
C076 C068 C100 115.5(10) . .
C38 C37 C34 119.5(7) . .
C38 C37 C39 121.7(8) . .
C34 C37 C39 118.8(7) . .
F9 C11 C10 118.8(8) . .
F9 C11 C12 121.1(8) . .
C10 C11 C12 119.9(8) . .
C38 C40 H40A 109.5 . .
C38 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C38 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
F20 C20 C19 122.3(7) . .
F20 C20 C21 115.0(7) . .
C19 C20 C21 122.4(7) . .
C26 C25 P2 111.1(5) . .
C26 C25 H25A 109.4 . .
P2 C25 H25A 109.4 . .
C26 C25 H25B 109.4 . .
P2 C25 H25B 109.4 . .
H25A C25 H25B 108 . .
C22 C23 F17 119.9(7) . .
C22 C23 C24 120.7(8) . .
F17 C23 C24 119.5(8) . .
C068 C076 H07A 109.5 . .
C068 C076 H07B 109.5 . .
H07A C076 H07B 109.5 . .
C068 C076 H07C 109.5 . .
H07A C076 H07C 109.5 . .
H07B C076 H07C 109.5 . .
C068 C100 H10A 109.5 . .
C068 C100 H10B 109.5 . .
H10A C100 H10B 109.5 . .
C068 C100 H10C 109.5 . .
H10A C100 H10C 109.5 . .
H10B C100 H10C 109.5 . .
C200 C201 C202 110.6(11) . .
C200 C201 H20A 109.5 . .
C202 C201 H20A 109.5 . .
C200 C201 H20B 109.5 . .
C202 C201 H20B 109.5 . .
H20A C201 H20B 108.1 . .
C201 C200 C200 115.9(13) . 2_767
C201 C200 H20C 108.3 . .
C200 C200 H20C 108.3 2_767 .
C201 C200 H20D 108.3 . .
C200 C200 H20D 108.3 2_767 .
H20C C200 H20D 107.4 . .
C201 C202 H20E 109.5 . .
C201 C202 H20F 109.5 . .
H20E C202 H20F 109.5 . .
C201 C202 H20G 109.5 . .
H20E C202 H20G 109.5 . .
H20F C202 H20G 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N2 2.049(7) .
Cu1 N1 2.058(6) .
Cu1 P2 2.235(3) .
Cu1 P1 2.298(3) .
P1 C1 1.838(9) .
P1 C26 1.849(8) .
P1 C7 1.858(8) .
P2 C25 1.849(8) .
P2 C19 1.851(8) .
P2 C13 1.860(8) .
P3 F22 1.594(6) .
P3 F23 1.597(7) .
P3 F25 1.613(6) .
P3 F21 1.614(7) .
P3 F26 1.618(6) .
P3 F24 1.621(6) .
F5 C6 1.365(9) .
F11 C18 1.360(9) .
F15 C14 1.335(10) .
F6 C8 1.362(9) .
F7 C9 1.342(10) .
F10 C12 1.358(9) .
F16 C24 1.355(9) .
F12 C17 1.331(10) .
F1 C2 1.337(9) .
F9 C11 1.357(9) .
F4 C5 1.327(9) .
F20 C20 1.348(9) .
F18 C22 1.343(10) .
F3 C4 1.346(10) .
F19 C21 1.315(10) .
F8 C10 1.332(10) .
F2 C3 1.354(9) .
F13 C16 1.327(10) .
F17 C23 1.378(9) .
F14 C15 1.368(9) .
C17 C18 1.367(12) .
C17 C16 1.423(12) .
N1 C27 1.315(10) .
N1 C30 1.385(10) .
O100 C068 1.205(12) .
C32 C36 1.377(12) .
C32 C28 1.413(12) .
C32 H32 0.95 .
C9 C8 1.389(11) .
C9 C10 1.401(12) .
C13 C18 1.384(12) .
C13 C14 1.435(11) .
C5 C6 1.380(11) .
C5 C4 1.401(12) .
N2 C28 1.322(10) .
N2 C31 1.381(10) .
C34 C33 1.396(12) .
C34 C30 1.417(11) .
C34 C37 1.468(12) .
C27 C29 1.407(11) .
C27 H27 0.95 .
C19 C20 1.379(12) .
C19 C24 1.390(11) .
C3 C4 1.350(13) .
C3 C2 1.373(12) .
C8 C7 1.379(12) .
C35 C36 1.405(12) .
C35 C31 1.424(10) .
C35 C38 1.452(11) .
C29 C33 1.375(11) .
C29 H29 0.95 .
C38 C37 1.369(12) .
C38 C40 1.529(11) .
C24 C23 1.378(11) .
C30 C31 1.413(11) .
C1 C6 1.379(12) .
C1 C2 1.421(11) .
C16 C15 1.337(13) .
C12 C11 1.380(12) .
C12 C7 1.399(11) .
C26 C25 1.567(11) .
C26 H26A 0.99 .
C26 H26B 0.99 .
C14 C15 1.385(12) .
C33 H33 0.95 .
C36 H36 0.95 .
C10 C11 1.358(13) .
C21 C22 1.378(12) .
C21 C20 1.428(12) .
C39 C37 1.514(11) .
C39 H39A 0.98 .
C39 H39B 0.98 .
C39 H39C 0.98 .
C28 H28 0.95 .
C22 C23 1.350(13) .
C068 C076 1.499(14) .
C068 C100 1.511(16) .
C40 H40A 0.98 .
C40 H40B 0.98 .
C40 H40C 0.98 .
C25 H25A 0.99 .
C25 H25B 0.99 .
C076 H07A 0.98 .
C076 H07B 0.98 .
C076 H07C 0.98 .
C100 H10A 0.98 .
C100 H10B 0.98 .
C100 H10C 0.98 .
C201 C200 1.499(17) .
C201 C202 1.581(17) .
C201 H20A 0.99 .
C201 H20B 0.99 .
C200 C200 1.57(2) 2_767
C200 H20C 0.99 .
C200 H20D 0.99 .
C202 H20E 0.98 .
C202 H20F 0.98 .
C202 H20G 0.98 .
