#------------------------------------------------------------------------------
#$Date: 2016-03-26 01:52:57 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180159 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/55/7105510.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_7105510
loop_
_publ_author_name
'Chen, Chi-Shian'
'Yeh, Wen-Yann'
_publ_section_title
;
 Coordination of NO2− ligand to Cu(i) ion in an O,O-bidentate
 fashion that evolves NO gas upon protonation: a model reaction
 relevant to the denitrification process
;
_journal_issue                   18
_journal_name_full               'Chemical Communications'
_journal_page_first              3098
_journal_page_last               3100
_journal_paper_doi               10.1039/b927513d
_journal_volume                  46
_journal_year                    2010
_chemical_formula_moiety         'C87 H68 B2 Cl2 Cu2 F8 N6 P4'
_chemical_formula_sum            'C87 H68 B2 Cl2 Cu2 F8 N6 P4'
_chemical_formula_weight         1692.95
_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                98.7830(10)
_cell_angle_beta                 93.5300(10)
_cell_angle_gamma                101.6710(10)
_cell_formula_units_Z            2
_cell_length_a                   12.8700(2)
_cell_length_b                   15.1448(2)
_cell_length_c                   23.0511(3)
_cell_measurement_reflns_used    47609
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      2.037
_cell_volume                     4328.60(11)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction        'HKL Denzo and Scalepack'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_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  0.0957
_diffrn_reflns_av_sigmaI/netI    0.0851
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            52637
_diffrn_reflns_theta_full        25.38
_diffrn_reflns_theta_max         25.38
_diffrn_reflns_theta_min         2.08
_exptl_absorpt_coefficient_mu    0.690
_exptl_absorpt_correction_T_max  0.9997
_exptl_absorpt_correction_T_min  0.7359
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
?
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.299
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1732
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.09
_refine_diff_density_max         2.103
_refine_diff_density_min         -1.020
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.240
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     952
_refine_ls_number_reflns         15746
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.240
_refine_ls_R_factor_all          0.1201
_refine_ls_R_factor_gt           0.0899
_refine_ls_shift/su_max          0.022
_refine_ls_shift/su_mean         0.013
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1167P)²+4.2037P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2385
_refine_ls_wR_factor_ref         0.2540
_reflns_number_gt                10956
_reflns_number_total             15746
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b927513d.txt
_cod_data_source_block           7389
_cod_original_cell_volume        4328.59(10)
_cod_database_code               7105510
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
C1 C 0.9224(5) 0.9127(4) 0.1724(3) 0.0388(14) Uani 1 1 d . . .
C2 C 0.9812(5) 0.9045(5) 0.2235(3) 0.0485(16) Uani 1 1 d . . .
H2 H 0.9472 0.8976 0.2575 0.058 Uiso 1 1 calc R . .
C3 C 1.0899(6) 0.9065(5) 0.2244(4) 0.063(2) Uani 1 1 d . . .
H3 H 1.1280 0.9016 0.2590 0.076 Uiso 1 1 calc R . .
C4 C 1.1408(6) 0.9156(6) 0.1742(5) 0.074(2) Uani 1 1 d . . .
H4 H 1.2135 0.9176 0.1745 0.088 Uiso 1 1 calc R . .
C5 C 1.0827(7) 0.9218(7) 0.1236(5) 0.082(3) Uani 1 1 d . . .
H5 H 1.1166 0.9264 0.0894 0.098 Uiso 1 1 calc R . .
C6 C 0.9752(6) 0.9213(6) 0.1221(3) 0.0568(19) Uani 1 1 d . . .
H6 H 0.9380 0.9267 0.0873 0.068 Uiso 1 1 calc R . .
C7 C 0.8042(5) 1.0332(4) 0.2278(3) 0.0345(13) Uani 1 1 d . . .
C8 C 0.9020(6) 1.0966(5) 0.2413(3) 0.0532(18) Uani 1 1 d . . .
H8 H 0.9614 1.0855 0.2228 0.064 Uiso 1 1 calc R . .
C9 C 0.9104(7) 1.1756(5) 0.2820(4) 0.067(2) Uani 1 1 d . . .
H9 H 0.9746 1.2184 0.2897 0.080 Uiso 1 1 calc R . .
C10 C 0.8235(6) 1.1908(5) 0.3113(3) 0.0577(19) Uani 1 1 d . . .
H10 H 0.8305 1.2421 0.3403 0.069 Uiso 1 1 calc R . .
C11 C 0.7273(6) 1.1307(4) 0.2977(3) 0.0470(16) Uani 1 1 d . . .
H11 H 0.6681 1.1428 0.3160 0.056 Uiso 1 1 calc R . .
C12 C 0.7182(6) 1.0518(4) 0.2568(3) 0.0422(15) Uani 1 1 d . . .
H12 H 0.6529 1.0104 0.2486 0.051 Uiso 1 1 calc R . .
C13 C 0.7500(5) 0.9521(4) 0.1058(3) 0.0361(14) Uani 1 1 d . . .
C14 C 0.7626(6) 1.0428(5) 0.0992(3) 0.0509(17) Uani 1 1 d . . .
H14 H 0.7908 1.0879 0.1315 0.061 Uiso 1 1 calc R . .
C15 C 0.7351(8) 1.0691(6) 0.0465(4) 0.074(3) Uani 1 1 d . . .
H15 H 0.7456 1.1308 0.0436 0.088 Uiso 1 1 calc R . .
C16 C 0.6918(8) 1.0031(6) -0.0017(4) 0.088(3) Uani 1 1 d . . .
H16 H 0.6738 1.0203 -0.0374 0.106 Uiso 1 1 calc R . .
C17 C 0.6752(8) 0.9109(5) 0.0030(3) 0.073(3) Uani 1 1 d . . .
H17 H 0.6441 0.8663 -0.0291 0.087 Uiso 1 1 calc R . .
C18 C 0.7054(6) 0.8862(5) 0.0561(3) 0.0463(16) Uani 1 1 d . . .
C19 C 0.6823(6) 0.7874(4) 0.0599(3) 0.0443(16) Uani 1 1 d . . .
H19 H 0.6349 0.7452 0.0319 0.053 Uiso 1 1 calc R . .
C20 C 0.6934(5) 0.6739(4) 0.1155(2) 0.0330(13) Uani 1 1 d . . .
C21 C 0.6807(5) 0.5935(4) 0.0765(3) 0.0424(15) Uani 1 1 d . . .
H21 H 0.6956 0.5937 0.0376 0.051 Uiso 1 1 calc R . .
C22 C 0.6446(5) 0.5109(4) 0.0969(3) 0.0433(15) Uani 1 1 d . . .
H22 H 0.6358 0.4551 0.0718 0.052 Uiso 1 1 calc R . .
C23 C 0.6225(5) 0.5141(4) 0.1553(3) 0.0365(14) Uani 1 1 d . . .
H23 H 0.5983 0.4605 0.1700 0.044 Uiso 1 1 calc R . .
C24 C 0.6369(4) 0.5979(4) 0.1909(2) 0.0287(12) Uani 1 1 d . . .
C25 C 0.5186(5) 0.5713(4) 0.2606(2) 0.0322(13) Uani 1 1 d . . .
H25 H 0.4742 0.5393 0.2275 0.039 Uiso 1 1 calc R . .
C26 C 0.4693(4) 0.5764(4) 0.3170(2) 0.0321(13) Uani 1 1 d . . .
C27 C 0.3581(5) 0.5594(4) 0.3098(3) 0.0401(15) Uani 1 1 d . . .
H27 H 0.3229 0.5414 0.2720 0.048 Uiso 1 1 calc R . .
C28 C 0.2996(5) 0.5689(5) 0.3575(3) 0.0472(17) Uani 1 1 d . . .
H28 H 0.2256 0.5565 0.3520 0.057 Uiso 1 1 calc R . .
C29 C 0.3503(5) 0.5962(5) 0.4126(3) 0.0453(16) Uani 1 1 d . . .
H29 H 0.3111 0.6067 0.4446 0.054 Uiso 1 1 calc R . .
C30 C 0.4587(5) 0.6086(4) 0.4216(3) 0.0404(15) Uani 1 1 d . . .
H30 H 0.4913 0.6241 0.4600 0.048 Uiso 1 1 calc R . .
C31 C 0.5220(5) 0.5986(4) 0.3748(3) 0.0323(13) Uani 1 1 d . . .
C32 C 0.6495(5) 0.4760(4) 0.4010(2) 0.0333(13) Uani 1 1 d . . .
C33 C 0.5536(5) 0.4130(4) 0.3936(3) 0.0426(15) Uani 1 1 d . . .
H33 H 0.4908 0.4301 0.3825 0.051 Uiso 1 1 calc R . .
C34 C 0.5513(6) 0.3248(5) 0.4026(3) 0.0529(18) Uani 1 1 d . . .
H34 H 0.4865 0.2827 0.3975 0.063 Uiso 1 1 calc R . .
C35 C 0.6427(6) 0.2979(5) 0.4190(3) 0.0458(16) Uani 1 1 d . . .
H35 H 0.6399 0.2380 0.4245 0.055 Uiso 1 1 calc R . .
C36 C 0.7383(6) 0.3602(4) 0.4272(3) 0.0420(15) Uani 1 1 d . . .
H36 H 0.8006 0.3428 0.4389 0.050 Uiso 1 1 calc R . .
C37 C 0.7418(5) 0.4477(4) 0.4180(2) 0.0380(14) Uani 1 1 d . . .
H37 H 0.8070 0.4892 0.4232 0.046 Uiso 1 1 calc R . .
C38 C 0.7064(5) 0.6593(4) 0.4628(2) 0.0329(13) Uani 1 1 d . . .
C39 C 0.6936(5) 0.6215(5) 0.5142(3) 0.0424(15) Uani 1 1 d . . .
H39 H 0.6560 0.5616 0.5119 0.051 Uiso 1 1 calc R . .
C40 C 0.7364(6) 0.6727(6) 0.5688(3) 0.0531(18) Uani 1 1 d . . .
H40 H 0.7265 0.6465 0.6025 0.064 Uiso 1 1 calc R . .
C41 C 0.7918(6) 0.7593(6) 0.5737(3) 0.0571(19) Uani 1 1 d . . .
H41 H 0.8206 0.7923 0.6105 0.068 Uiso 1 1 calc R . .
C42 C 0.8059(7) 0.7996(6) 0.5228(3) 0.065(2) Uani 1 1 d . . .
H42 H 0.8436 0.8596 0.5258 0.078 Uiso 1 1 calc R . .
C43 C 0.7632(6) 0.7493(5) 0.4686(3) 0.0488(17) Uani 1 1 d . . .
H43 H 0.7726 0.7761 0.4350 0.059 Uiso 1 1 calc R . .
C44 C 0.8096(4) 0.4373(4) 0.2378(2) 0.0318(12) Uani 1 1 d . . .
C45 C 0.7183(5) 0.3879(4) 0.2581(3) 0.0398(14) Uani 1 1 d . . .
H45 H 0.6948 0.4118 0.2933 0.048 Uiso 1 1 calc R . .
C46 C 0.6634(6) 0.3054(4) 0.2273(3) 0.0487(17) Uani 1 1 d . . .
H46 H 0.6034 0.2737 0.2416 0.058 Uiso 1 1 calc R . .
C47 C 0.6978(6) 0.2688(5) 0.1741(4) 0.062(2) Uani 1 1 d . . .
H47 H 0.6602 0.2133 0.1526 0.074 Uiso 1 1 calc R . .
C48 C 0.7870(7) 0.3154(5) 0.1541(4) 0.066(2) Uani 1 1 d . . .
H48 H 0.8106 0.2906 0.1192 0.080 Uiso 1 1 calc R . .
C49 C 0.8428(6) 0.3987(5) 0.1848(3) 0.0534(18) Uani 1 1 d . . .
H49 H 0.9030 0.4295 0.1701 0.064 Uiso 1 1 calc R . .
C50 C 0.9645(5) 0.5940(4) 0.2286(2) 0.0349(13) Uani 1 1 d . . .
C51 C 1.0543(5) 0.5612(5) 0.2194(3) 0.0442(15) Uani 1 1 d . . .
H51 H 1.0747 0.5224 0.2434 0.053 Uiso 1 1 calc R . .
C52 C 1.1158(6) 0.5854(6) 0.1742(3) 0.059(2) Uani 1 1 d . . .
H52 H 1.1772 0.5631 0.1683 0.070 Uiso 1 1 calc R . .
C53 C 1.0854(7) 0.6423(6) 0.1385(4) 0.067(2) Uani 1 1 d . . .
H53 H 1.1237 0.6564 0.1070 0.080 Uiso 1 1 calc R . .
C54 C 0.9961(7) 0.6788(6) 0.1502(3) 0.062(2) Uani 1 1 d . . .
H54 H 0.9769 0.7197 0.1274 0.075 Uiso 1 1 calc R . .
C55 C 0.9363(6) 0.6548(5) 0.1949(3) 0.0460(16) Uani 1 1 d . . .
H55 H 0.8770 0.6795 0.2024 0.055 Uiso 1 1 calc R . .
C56 C 0.9573(4) 0.5245(4) 0.3389(2) 0.0310(12) Uani 1 1 d . . .
C57 C 0.9715(5) 0.4362(4) 0.3391(3) 0.0376(14) Uani 1 1 d . . .
H57 H 0.9422 0.3911 0.3070 0.045 Uiso 1 1 calc R . .
C58 C 1.0276(5) 0.4129(4) 0.3853(3) 0.0427(15) Uani 1 1 d . . .
H58 H 1.0358 0.3531 0.3839 0.051 Uiso 1 1 calc R . .
C59 C 1.0717(5) 0.4789(4) 0.4338(3) 0.0402(15) Uani 1 1 d . . .
H59 H 1.1092 0.4631 0.4651 0.048 Uiso 1 1 calc R . .
C60 C 1.0600(5) 0.5673(4) 0.4358(3) 0.0384(14) Uani 1 1 d . . .
H60 H 1.0884 0.6109 0.4688 0.046 Uiso 1 1 calc R . .
C61 C 1.0055(4) 0.5927(4) 0.3882(2) 0.0314(12) Uani 1 1 d . . .
C62 C 0.9886(5) 0.6856(4) 0.3937(3) 0.0339(13) Uani 1 1 d . . .
H62 H 1.0029 0.7245 0.4299 0.041 Uiso 1 1 calc R . .
C63 C 0.9142(5) 0.7929(4) 0.3528(2) 0.0337(13) Uani 1 1 d . . .
C64 C 0.9686(5) 0.8776(4) 0.3823(3) 0.0413(15) Uani 1 1 d . . .
H64 H 1.0383 0.8866 0.3991 0.050 Uiso 1 1 calc R . .
C65 C 0.9148(6) 0.9492(4) 0.3859(3) 0.0471(16) Uani 1 1 d . . .
H65 H 0.9478 1.0069 0.4062 0.057 Uiso 1 1 calc R . .
C66 C 0.8116(5) 0.9341(4) 0.3591(3) 0.0409(15) Uani 1 1 d . . .
H66 H 0.7745 0.9810 0.3615 0.049 Uiso 1 1 calc R . .
C67 C 0.7654(5) 0.8475(4) 0.3287(2) 0.0309(12) Uani 1 1 d . . .
C68 C 0.5837(5) 0.8331(4) 0.3305(3) 0.0373(14) Uani 1 1 d . . .
H68 H 0.6027 0.8535 0.3707 0.045 Uiso 1 1 calc R . .
C69 C 0.4685(5) 0.8130(4) 0.3113(3) 0.0359(14) Uani 1 1 d . . .
C70 C 0.4045(5) 0.8050(5) 0.3583(3) 0.0453(16) Uani 1 1 d . . .
H70 H 0.4373 0.8160 0.3966 0.054 Uiso 1 1 calc R . .
C71 C 0.2959(6) 0.7816(5) 0.3496(3) 0.0517(18) Uani 1 1 d . . .
H71 H 0.2557 0.7776 0.3816 0.062 Uiso 1 1 calc R . .
C72 C 0.2463(6) 0.7641(5) 0.2932(3) 0.0482(17) Uani 1 1 d . . .
H72 H 0.1725 0.7461 0.2866 0.058 Uiso 1 1 calc R . .
C73 C 0.3086(5) 0.7737(4) 0.2461(3) 0.0398(14) Uani 1 1 d . . .
H73 H 0.2749 0.7632 0.2081 0.048 Uiso 1 1 calc R . .
C74 C 0.4182(5) 0.7983(4) 0.2540(3) 0.0340(13) Uani 1 1 d . . .
C75 C 0.4059(4) 0.7516(4) 0.1272(2) 0.0329(13) Uani 1 1 d . . .
C76 C 0.4100(6) 0.6598(5) 0.1151(3) 0.0500(17) Uani 1 1 d . . .
H76 H 0.4543 0.6368 0.1396 0.060 Uiso 1 1 calc R . .
C77 C 0.3493(6) 0.6017(5) 0.0673(4) 0.063(2) Uani 1 1 d . . .
H77 H 0.3531 0.5404 0.0606 0.076 Uiso 1 1 calc R . .
C78 C 0.2847(6) 0.6325(6) 0.0304(3) 0.056(2) Uani 1 1 d . . .
H78 H 0.2446 0.5932 -0.0018 0.068 Uiso 1 1 calc R . .
C79 C 0.2795(6) 0.7250(6) 0.0416(3) 0.058(2) Uani 1 1 d . . .
H79 H 0.2347 0.7471 0.0169 0.069 Uiso 1 1 calc R . .
C80 C 0.3395(5) 0.7832(5) 0.0885(3) 0.0446(16) Uani 1 1 d . . .
H80 H 0.3361 0.8446 0.0948 0.053 Uiso 1 1 calc R . .
C81 C 0.4653(5) 0.9387(4) 0.1869(3) 0.0404(15) Uani 1 1 d . . .
C82 C 0.4258(5) 0.9893(4) 0.2317(3) 0.0503(17) Uani 1 1 d . . .
H82 H 0.4074 0.9646 0.2651 0.060 Uiso 1 1 calc R . .
C83 C 0.4129(7) 1.0787(5) 0.2273(5) 0.070(2) Uani 1 1 d . . .
H83 H 0.3856 1.1122 0.2576 0.085 Uiso 1 1 calc R . .
C84 C 0.4404(7) 1.1159(6) 0.1787(5) 0.078(3) Uani 1 1 d . . .
H84 H 0.4318 1.1747 0.1761 0.093 Uiso 1 1 calc R . .
C85 C 0.4809(6) 1.0669(5) 0.1337(4) 0.065(2) Uani 1 1 d . . .
H85 H 0.4987 1.0923 0.1004 0.078 Uiso 1 1 calc R . .
C86 C 0.4953(5) 0.9784(5) 0.1377(3) 0.0516(18) Uani 1 1 d . . .
H86 H 0.5249 0.9461 0.1078 0.062 Uiso 1 1 calc R . .
C87 C 0.3509(12) 0.0228(11) 0.4376(7) 0.136(5) Uani 1 1 d . . .
Cu1 Cu 0.66013(5) 0.81200(5) 0.20735(3) 0.0300(2) Uani 1 1 d . . .
Cu2 Cu 0.74889(5) 0.63429(4) 0.31156(3) 0.0281(2) Uani 1 1 d . . .
N1 N 0.7289(4) 0.7621(3) 0.1025(2) 0.0356(11) Uani 1 1 d . . .
N2 N 0.6727(4) 0.6777(3) 0.17339(18) 0.0274(10) Uani 1 1 d . . .
N3 N 0.6149(4) 0.6055(3) 0.25137(18) 0.0265(10) Uani 1 1 d . . .
N4 N 0.9541(4) 0.7127(3) 0.3483(2) 0.0296(10) Uani 1 1 d . . .
N5 N 0.8157(4) 0.7770(3) 0.32521(19) 0.0278(10) Uani 1 1 d . . .
N6 N 0.6615(4) 0.8257(3) 0.29828(19) 0.0305(10) Uani 1 1 d . . .
P1 P 0.78513(12) 0.92368(10) 0.17806(6) 0.0316(3) Uani 1 1 d . . .
P2 P 0.66220(12) 0.59493(10) 0.38891(6) 0.0297(3) Uani 1 1 d . . .
P3 P 0.87116(11) 0.55065(10) 0.27961(6) 0.0279(3) Uani 1 1 d . . .
P4 P 0.49009(12) 0.82483(10) 0.19013(6) 0.0313(3) Uani 1 1 d . . .
B1 B 0.8239(11) 0.1466(8) 0.4830(6) 0.094(3) Uani 1 1 d . . .
B2 B 0.3778(12) 0.3408(8) 0.1020(6) 0.094(3) Uani 1 1 d . . .
F1 F 0.9025(8) 0.1964(7) 0.4615(4) 0.169(3) Uiso 1 1 d . . .
F2 F 0.7894(5) 0.2104(5) 0.5211(3) 0.114(2) Uiso 1 1 d . . .
F3 F 0.8442(7) 0.0801(6) 0.5121(4) 0.149(3) Uiso 1 1 d . . .
F4 F 0.7423(5) 0.1068(4) 0.4392(2) 0.0932(16) Uiso 1 1 d . . .
F5 F 0.3732(8) 0.4103(7) 0.1478(4) 0.171(3) Uiso 1 1 d . . .
F6 F 0.4735(12) 0.3052(10) 0.0961(6) 0.243(6) Uiso 1 1 d . . .
F7 F 0.3059(7) 0.2591(6) 0.0970(4) 0.144(3) Uiso 1 1 d . . .
F8 F 0.3939(8) 0.3848(7) 0.0588(4) 0.170(3) Uiso 1 1 d . . .
Cl1 Cl 0.2768(4) 0.0216(3) 0.3723(2) 0.1145(13) Uiso 0.75 1 d P A 1
Cl1' Cl 0.3533(16) 0.0580(13) 0.3748(8) 0.145(5) Uiso 0.25 1 d P A 2
Cl2 Cl 0.4866(7) 0.0546(6) 0.4278(4) 0.149(2) Uiso 0.55 1 d P A 3
Cl2' Cl 0.4495(8) 0.1260(6) 0.4843(4) 0.143(3) Uiso 0.45 1 d P A 4
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'
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'
P P 0.1023 0.0942 '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'
F F 0.0171 0.0103 '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'
Cl Cl 0.1484 0.1585 '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
C6 C1 C2 118.1(6) . . ?
C6 C1 P1 123.9(5) . . ?
C2 C1 P1 117.7(5) . . ?
C3 C2 C1 121.1(7) . . ?
C3 C2 H2 119.5 . . ?
C1 C2 H2 119.5 . . ?
C4 C3 C2 119.9(7) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C5 119.0(7) . . ?
C3 C4 H4 120.5 . . ?
C5 C4 H4 120.5 . . ?
C6 C5 C4 121.8(8) . . ?
C6 C5 H5 119.1 . . ?
C4 C5 H5 119.1 . . ?
C5 C6 C1 120.0(7) . . ?
C5 C6 H6 120.0 . . ?
C1 C6 H6 120.0 . . ?
C12 C7 C8 118.0(6) . . ?
C12 C7 P1 117.5(5) . . ?
C8 C7 P1 124.3(5) . . ?
C9 C8 C7 120.3(7) . . ?
C9 C8 H8 119.8 . . ?
C7 C8 H8 119.8 . . ?
C8 C9 C10 120.1(7) . . ?
C8 C9 H9 120.0 . . ?
C10 C9 H9 120.0 . . ?
C11 C10 C9 120.2(7) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C10 C11 C12 120.0(7) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
C7 C12 C11 121.3(6) . . ?
C7 C12 H12 119.4 . . ?
C11 C12 H12 119.3 . . ?
C14 C13 C18 116.7(5) . . ?
C14 C13 P1 119.6(5) . . ?
C18 C13 P1 123.6(4) . . ?
C15 C14 C13 122.7(7) . . ?
C15 C14 H14 118.6 . . ?
C13 C14 H14 118.6 . . ?
C14 C15 C16 119.4(7) . . ?
C14 C15 H15 120.3 . . ?
C16 C15 H15 120.3 . . ?
C17 C16 C15 120.1(7) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 120.0 . . ?
C16 C17 C18 119.3(7) . . ?
C16 C17 H17 120.3 . . ?
C18 C17 H17 120.3 . . ?
C17 C18 C13 121.7(6) . . ?
C17 C18 C19 117.5(6) . . ?
C13 C18 C19 120.6(5) . . ?
N1 C19 C18 118.0(6) . . ?
N1 C19 H19 121.0 . . ?
C18 C19 H19 121.0 . . ?
C21 C20 N2 123.3(5) . . ?
C21 C20 N1 125.7(5) . . ?
N2 C20 N1 111.0(5) . . ?
C20 C21 C22 118.4(5) . . ?
C20 C21 H21 120.8 . . ?
C22 C21 H21 120.8 . . ?
C23 C22 C21 118.7(6) . . ?
C23 C22 H22 120.7 . . ?
C21 C22 H22 120.7 . . ?
C24 C23 C22 118.8(6) . . ?
C24 C23 H23 120.6 . . ?
C22 C23 H23 120.6 . . ?
N2 C24 C23 124.1(5) . . ?
N2 C24 N3 114.6(5) . . ?
C23 C24 N3 121.3(5) . . ?
N3 C25 C26 128.5(5) . . ?
N3 C25 H25 115.8 . . ?
C26 C25 H25 115.8 . . ?
C27 C26 C31 119.1(5) . . ?
C27 C26 C25 113.4(5) . . ?
C31 C26 C25 127.5(5) . . ?
C28 C27 C26 121.2(6) . . ?
C28 C27 H27 119.4 . . ?
C26 C27 H27 119.4 . . ?
C29 C28 C27 119.8(6) . . ?
C29 C28 H28 120.1 . . ?
C27 C28 H28 120.1 . . ?
C28 C29 C30 120.6(6) . . ?
C28 C29 H29 119.7 . . ?
C30 C29 H29 119.7 . . ?
C29 C30 C31 122.0(6) . . ?
C29 C30 H30 119.0 . . ?
C31 C30 H30 119.0 . . ?
C30 C31 C26 117.2(5) . . ?
C30 C31 P2 120.4(5) . . ?
C26 C31 P2 121.6(4) . . ?
C33 C32 C37 118.2(6) . . ?
C33 C32 P2 123.5(5) . . ?
C37 C32 P2 118.2(5) . . ?
C32 C33 C34 119.8(6) . . ?
C32 C33 H33 120.1 . . ?
C34 C33 H33 120.1 . . ?
C35 C34 C33 121.2(7) . . ?
C35 C34 H34 119.4 . . ?
C33 C34 H34 119.4 . . ?
C34 C35 C36 119.5(6) . . ?
C34 C35 H35 120.2 . . ?
C36 C35 H35 120.2 . . ?
C37 C36 C35 119.9(6) . . ?
C37 C36 H36 120.1 . . ?
C35 C36 H36 120.1 . . ?
C36 C37 C32 121.3(6) . . ?
C36 C37 H37 119.3 . . ?
C32 C37 H37 119.3 . . ?
C43 C38 C39 117.5(6) . . ?
C43 C38 P2 118.6(4) . . ?
C39 C38 P2 123.7(5) . . ?
C40 C39 C38 120.6(7) . . ?
C40 C39 H39 119.7 . . ?
C38 C39 H39 119.7 . . ?
C41 C40 C39 121.3(6) . . ?
C41 C40 H40 119.4 . . ?
C39 C40 H40 119.4 . . ?
C40 C41 C42 119.7(7) . . ?
C40 C41 H41 120.2 . . ?
C42 C41 H41 120.2 . . ?
C43 C42 C41 119.3(7) . . ?
C43 C42 H42 120.3 . . ?
C41 C42 H42 120.3 . . ?
C42 C43 C38 121.6(6) . . ?
C42 C43 H43 119.2 . . ?
C38 C43 H43 119.2 . . ?
C45 C44 C49 117.5(6) . . ?
C45 C44 P3 117.8(4) . . ?
C49 C44 P3 124.6(5) . . ?
C46 C45 C44 121.5(6) . . ?
C46 C45 H45 119.3 . . ?
C44 C45 H45 119.3 . . ?
C45 C46 C47 119.8(7) . . ?
C45 C46 H46 120.1 . . ?
C47 C46 H46 120.1 . . ?
C48 C47 C46 119.5(7) . . ?
C48 C47 H47 120.3 . . ?
C46 C47 H47 120.3 . . ?
C47 C48 C49 121.1(7) . . ?
C47 C48 H48 119.4 . . ?
C49 C48 H48 119.4 . . ?
C48 C49 C44 120.6(7) . . ?
C48 C49 H49 119.7 . . ?
C44 C49 H49 119.7 . . ?
C51 C50 C55 120.1(6) . . ?
C51 C50 P3 121.7(5) . . ?
C55 C50 P3 117.9(5) . . ?
C50 C51 C52 120.5(7) . . ?
C50 C51 H51 119.8 . . ?
C52 C51 H51 119.8 . . ?
C53 C52 C51 119.8(7) . . ?
C53 C52 H52 120.1 . . ?
C51 C52 H52 120.1 . . ?
C54 C53 C52 119.1(6) . . ?
C54 C53 H53 120.5 . . ?
C52 C53 H53 120.5 . . ?
C53 C54 C55 120.7(7) . . ?
C53 C54 H54 119.7 . . ?
C55 C54 H54 119.7 . . ?
C50 C55 C54 119.8(7) . . ?
C50 C55 H55 120.1 . . ?
C54 C55 H55 120.1 . . ?
C57 C56 C61 117.6(5) . . ?
C57 C56 P3 121.0(5) . . ?
C61 C56 P3 121.3(4) . . ?
C58 C57 C56 122.3(6) . . ?
C58 C57 H57 118.8 . . ?
C56 C57 H57 118.8 . . ?
C59 C58 C57 119.9(6) . . ?
C59 C58 H58 120.0 . . ?
C57 C58 H58 120.0 . . ?
C58 C59 C60 120.1(5) . . ?
C58 C59 H59 120.0 . . ?
C60 C59 H59 120.0 . . ?
C59 C60 C61 120.6(6) . . ?
C59 C60 H60 119.7 . . ?
C61 C60 H60 119.7 . . ?
C60 C61 C56 119.4(5) . . ?
C60 C61 C62 118.8(5) . . ?
C56 C61 C62 121.3(5) . . ?
N4 C62 C61 118.9(5) . . ?
N4 C62 H62 120.6 . . ?
C61 C62 H62 120.6 . . ?
N5 C63 C64 123.9(6) . . ?
N5 C63 N4 111.5(5) . . ?
C64 C63 N4 124.6(5) . . ?
C63 C64 C65 117.4(6) . . ?
C63 C64 H64 121.3 . . ?
C65 C64 H64 121.3 . . ?
C66 C65 C64 119.9(6) . . ?
C66 C65 H65 120.1 . . ?
C64 C65 H65 120.1 . . ?
C67 C66 C65 118.5(6) . . ?
C67 C66 H66 120.8 . . ?
C65 C66 H66 120.8 . . ?
N5 C67 C66 122.6(5) . . ?
N5 C67 N6 114.6(5) . . ?
C66 C67 N6 122.8(5) . . ?
N6 C68 C69 127.9(6) . . ?
N6 C68 H68 116.1 . . ?
C69 C68 H68 116.1 . . ?
C74 C69 C70 118.4(6) . . ?
C74 C69 C68 128.7(5) . . ?
C70 C69 C68 112.9(5) . . ?
C71 C70 C69 122.2(6) . . ?
C71 C70 H70 118.9 . . ?
C69 C70 H70 118.9 . . ?
C72 C71 C70 119.6(6) . . ?
C72 C71 H71 120.2 . . ?
C70 C71 H71 120.2 . . ?
C71 C72 C73 118.9(6) . . ?
C71 C72 H72 120.5 . . ?
C73 C72 H72 120.5 . . ?
C74 C73 C72 122.3(6) . . ?
C74 C73 H73 118.8 . . ?
C72 C73 H73 118.8 . . ?
C73 C74 C69 118.5(5) . . ?
C73 C74 P4 118.1(5) . . ?
C69 C74 P4 122.9(5) . . ?
C80 C75 C76 117.2(6) . . ?
C80 C75 P4 123.8(5) . . ?
C76 C75 P4 119.0(5) . . ?
C77 C76 C75 121.2(7) . . ?
C77 C76 H76 119.4 . . ?
C75 C76 H76 119.4 . . ?
C78 C77 C76 121.3(7) . . ?
C78 C77 H77 119.4 . . ?
C76 C77 H77 119.4 . . ?
C77 C78 C79 118.5(7) . . ?
C77 C78 H78 120.8 . . ?
C79 C78 H78 120.8 . . ?
C80 C79 C78 120.8(7) . . ?
C80 C79 H79 119.6 . . ?
C78 C79 H79 119.6 . . ?
C79 C80 C75 121.0(7) . . ?
C79 C80 H80 119.5 . . ?
C75 C80 H80 119.5 . . ?
C82 C81 C86 118.7(6) . . ?
C82 C81 P4 123.5(5) . . ?
C86 C81 P4 117.6(5) . . ?
C81 C82 C83 120.5(7) . . ?
C81 C82 H82 119.8 . . ?
C83 C82 H82 119.8 . . ?
C84 C83 C82 120.3(9) . . ?
C84 C83 H83 119.9 . . ?
C82 C83 H83 119.9 . . ?
C85 C84 C83 120.3(7) . . ?
C85 C84 H84 119.9 . . ?
C83 C84 H84 119.9 . . ?
C84 C85 C86 120.1(8) . . ?
C84 C85 H85 119.9 . . ?
C86 C85 H85 119.9 . . ?
C85 C86 C81 120.1(8) . . ?
C85 C86 H86 120.0 . . ?
C81 C86 H86 119.9 . . ?
Cl1' C87 Cl1 35.3(7) . . ?
Cl1' C87 Cl2 75.1(10) . . ?
Cl1 C87 Cl2 108.8(9) . . ?
Cl1' C87 Cl2' 98.5(11) . . ?
Cl1 C87 Cl2' 127.0(9) . . ?
Cl2 C87 Cl2' 55.3(6) . . ?
N6 Cu1 N2 108.73(17) . . ?
N6 Cu1 P4 96.21(14) . . ?
N2 Cu1 P4 109.04(13) . . ?
N6 Cu1 P1 112.67(14) . . ?
N2 Cu1 P1 113.97(13) . . ?
P4 Cu1 P1 114.74(6) . . ?
N3 Cu2 N5 109.17(17) . . ?
N3 Cu2 P2 96.25(12) . . ?
N5 Cu2 P2 111.14(12) . . ?
N3 Cu2 P3 110.92(13) . . ?
N5 Cu2 P3 111.25(13) . . ?
P2 Cu2 P3 117.03(6) . . ?
C19 N1 C20 120.1(5) . . ?
C24 N2 C20 116.6(5) . . ?
C24 N2 Cu1 131.7(3) . . ?
C20 N2 Cu1 108.6(3) . . ?
C25 N3 C24 115.9(5) . . ?
C25 N3 Cu2 126.8(4) . . ?
C24 N3 Cu2 114.7(3) . . ?
C62 N4 C63 121.4(5) . . ?
C63 N5 C67 117.8(5) . . ?
C63 N5 Cu2 109.1(3) . . ?
C67 N5 Cu2 128.9(4) . . ?
C68 N6 C67 116.1(5) . . ?
C68 N6 Cu1 128.6(4) . . ?
C67 N6 Cu1 114.0(3) . . ?
C1 P1 C7 101.0(3) . . ?
C1 P1 C13 101.7(3) . . ?
C7 P1 C13 103.3(3) . . ?
C1 P1 Cu1 121.8(2) . . ?
C7 P1 Cu1 112.00(19) . . ?
C13 P1 Cu1 114.7(2) . . ?
C31 P2 C38 106.4(3) . . ?
C31 P2 C32 100.5(3) . . ?
C38 P2 C32 102.1(3) . . ?
C31 P2 Cu2 108.76(18) . . ?
C38 P2 Cu2 120.0(2) . . ?
C32 P2 Cu2 116.95(18) . . ?
C50 P3 C44 100.7(3) . . ?
C50 P3 C56 104.0(3) . . ?
C44 P3 C56 103.0(3) . . ?
C50 P3 Cu2 119.0(2) . . ?
C44 P3 Cu2 113.20(19) . . ?
C56 P3 Cu2 114.89(18) . . ?
C81 P4 C75 104.1(3) . . ?
C81 P4 C74 99.9(3) . . ?
C75 P4 C74 103.9(3) . . ?
C81 P4 Cu1 117.9(2) . . ?
C75 P4 Cu1 119.7(2) . . ?
C74 P4 Cu1 108.7(2) . . ?
F2 B1 F3 109.1(10) . . ?
F2 B1 F4 108.3(12) . . ?
F3 B1 F4 107.5(9) . . ?
F2 B1 F1 102.4(9) . . ?
F3 B1 F1 118.8(13) . . ?
F4 B1 F1 110.4(10) . . ?
F8 B2 F5 101.8(10) . . ?
F8 B2 F6 93.2(10) . . ?
F5 B2 F6 120.7(13) . . ?
F8 B2 F7 122.9(12) . . ?
F5 B2 F7 118.6(10) . . ?
F6 B2 F7 98.2(11) . . ?
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
C1 C6 1.390(9) . ?
C1 C2 1.396(9) . ?
C1 P1 1.819(6) . ?
C2 C3 1.392(10) . ?
C2 H2 0.9300 . ?
C3 C4 1.378(12) . ?
C3 H3 0.9300 . ?
C4 C5 1.372(13) . ?
C4 H4 0.9300 . ?
C5 C6 1.380(11) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C12 1.382(9) . ?
C7 C8 1.405(9) . ?
C7 P1 1.829(6) . ?
C8 C9 1.384(10) . ?
C8 H8 0.9300 . ?
C9 C10 1.382(11) . ?
C9 H9 0.9300 . ?
C10 C11 1.367(10) . ?
C10 H10 0.9300 . ?
C11 C12 1.385(9) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.383(9) . ?
C13 C18 1.406(9) . ?
C13 P1 1.835(6) . ?
C14 C15 1.384(10) . ?
C14 H14 0.9300 . ?
C15 C16 1.380(12) . ?
C15 H15 0.9300 . ?
C16 C17 1.392(11) . ?
C16 H16 0.9300 . ?
C17 C18 1.390(9) . ?
C17 H17 0.9300 . ?
C18 C19 1.483(9) . ?
C19 N1 1.267(8) . ?
C19 H19 0.9300 . ?
C20 C21 1.372(8) . ?
C20 N2 1.372(7) . ?
C20 N1 1.406(7) . ?
C21 C22 1.404(9) . ?
C21 H21 0.9300 . ?
C22 C23 1.388(8) . ?
C22 H22 0.9300 . ?
C23 C24 1.374(8) . ?
C23 H23 0.9300 . ?
C24 N2 1.335(7) . ?
C24 N3 1.431(7) . ?
C25 N3 1.287(7) . ?
C25 C26 1.478(8) . ?
C25 H25 0.9300 . ?
C26 C27 1.397(8) . ?
C26 C31 1.417(8) . ?
C27 C28 1.377(9) . ?
C27 H27 0.9300 . ?
C28 C29 1.357(10) . ?
C28 H28 0.9300 . ?
C29 C30 1.367(9) . ?
C29 H29 0.9300 . ?
C30 C31 1.402(8) . ?
C30 H30 0.9300 . ?
C31 P2 1.827(6) . ?
C32 C33 1.382(9) . ?
C32 C37 1.397(8) . ?
C32 P2 1.840(6) . ?
C33 C34 1.378(9) . ?
C33 H33 0.9300 . ?
C34 C35 1.370(10) . ?
C34 H34 0.9300 . ?
C35 C36 1.374(10) . ?
C35 H35 0.9300 . ?
C36 C37 1.365(9) . ?
C36 H36 0.9300 . ?
C37 H37 0.9300 . ?
C38 C43 1.392(9) . ?
C38 C39 1.398(8) . ?
C38 P2 1.823(6) . ?
C39 C40 1.388(9) . ?
C39 H39 0.9300 . ?
C40 C41 1.345(11) . ?
C40 H40 0.9300 . ?
C41 C42 1.407(11) . ?
C41 H41 0.9300 . ?
C42 C43 1.379(10) . ?
C42 H42 0.9300 . ?
C43 H43 0.9300 . ?
C44 C45 1.406(8) . ?
C44 C49 1.402(9) . ?
C44 P3 1.832(6) . ?
C45 C46 1.370(9) . ?
C45 H45 0.9300 . ?
C46 C47 1.401(10) . ?
C46 H46 0.9300 . ?
C47 C48 1.366(11) . ?
C47 H47 0.9300 . ?
C48 C49 1.380(10) . ?
C48 H48 0.9300 . ?
C49 H49 0.9300 . ?
C50 C51 1.364(9) . ?
C50 C55 1.379(9) . ?
C50 P3 1.829(6) . ?
C51 C52 1.395(9) . ?
C51 H51 0.9300 . ?
C52 C53 1.373(12) . ?
C52 H52 0.9300 . ?
C53 C54 1.395(12) . ?
C53 H53 0.9300 . ?
C54 C55 1.373(9) . ?
C54 H54 0.9300 . ?
C55 H55 0.9300 . ?
C56 C57 1.386(8) . ?
C56 C61 1.427(8) . ?
C56 P3 1.847(6) . ?
C57 C58 1.379(8) . ?
C57 H57 0.9300 . ?
C58 C59 1.386(9) . ?
C58 H58 0.9300 . ?
C59 C60 1.371(9) . ?
C59 H59 0.9300 . ?
C60 C61 1.410(8) . ?
C60 H60 0.9300 . ?
C61 C62 1.455(8) . ?
C62 N4 1.269(7) . ?
C62 H62 0.9300 . ?
C63 N5 1.341(7) . ?
C63 C64 1.383(9) . ?
C63 N4 1.403(7) . ?
C64 C65 1.394(9) . ?
C64 H64 0.9300 . ?
C65 C66 1.389(9) . ?
C65 H65 0.9300 . ?
C66 C67 1.384(8) . ?
C66 H66 0.9300 . ?
C67 N5 1.351(7) . ?
C67 N6 1.423(7) . ?
C68 N6 1.296(7) . ?
C68 C69 1.477(9) . ?
C68 H68 0.9300 . ?
C69 C74 1.400(8) . ?
C69 C70 1.405(8) . ?
C70 C71 1.365(10) . ?
C70 H70 0.9300 . ?
C71 C72 1.375(10) . ?
C71 H71 0.9300 . ?
C72 C73 1.397(9) . ?
C72 H72 0.9300 . ?
C73 C74 1.378(8) . ?
C73 H73 0.9300 . ?
C74 P4 1.840(6) . ?
C75 C80 1.399(8) . ?
C75 C76 1.389(9) . ?
C75 P4 1.826(6) . ?
C76 C77 1.384(10) . ?
C76 H76 0.9300 . ?
C77 C78 1.351(11) . ?
C77 H77 0.9300 . ?
C78 C79 1.401(11) . ?
C78 H78 0.9300 . ?
C79 C80 1.368(10) . ?
C79 H79 0.9300 . ?
C80 H80 0.9300 . ?
C81 C82 1.376(9) . ?
C81 C86 1.400(9) . ?
C81 P4 1.828(6) . ?
C82 C83 1.415(10) . ?
C82 H82 0.9300 . ?
C83 C84 1.362(13) . ?
C83 H83 0.9300 . ?
C84 C85 1.374(13) . ?
C84 H84 0.9300 . ?
C85 C86 1.407(10) . ?
C85 H85 0.9300 . ?
C86 H86 0.9300 . ?
C87 Cl1' 1.62(2) . ?
C87 Cl1 1.727(15) . ?
C87 Cl2 1.753(17) . ?
C87 Cl2' 1.931(18) . ?
Cu1 N6 2.073(4) . ?
Cu1 N2 2.108(4) . ?
Cu1 P4 2.2524(16) . ?
Cu1 P1 2.2993(16) . ?
Cu2 N3 2.075(4) . ?
Cu2 N5 2.126(4) . ?
Cu2 P2 2.2539(15) . ?
Cu2 P3 2.2995(15) . ?
B1 F2 1.364(13) . ?
B1 F3 1.349(15) . ?
B1 F4 1.385(14) . ?
B1 F1 1.305(13) . ?
B2 F8 1.285(14) . ?
B2 F5 1.387(14) . ?
B2 F6 1.447(18) . ?
B2 F7 1.372(13) . ?
