#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/32/4343210.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_4343210
loop_
_publ_author_name
'Kusamoto, Tetsuro'
'Hattori, Yohei'
'Tanushi, Akira'
'Nishihara, Hiroshi'
_publ_section_title
;
 Intramolecular Ferromagnetic Radical-Cu(II) Coupling in a Cu(II) Complex
 Ligated with Pyridyl-Substituted Triarylmethyl Radicals.
;
_journal_issue                   9
_journal_name_full               'Inorganic chemistry'
_journal_page_first              4186
_journal_page_last               4188
_journal_paper_doi               10.1021/acs.inorgchem.5b00499
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C46 H14 Cl16 Cu F12 N2 O4'
_chemical_formula_sum            'C46 H14 Cl16 Cu F12 N2 O4'
_chemical_formula_weight         1517.33
_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_date             2014-11-25T16:54:29-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                96.054(4)
_cell_angle_beta                 94.587(4)
_cell_angle_gamma                90.641(4)
_cell_formula_units_Z            2
_cell_length_a                   9.107(2)
_cell_length_b                   14.594(4)
_cell_length_c                   20.758(5)
_cell_measurement_reflns_used    7128
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.5010
_cell_measurement_theta_min      3.0975
_cell_volume                     2734.2(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.947
_diffrn_measured_fraction_theta_max 0.906
_diffrn_measurement_device
;
Saturn724 (4x4 bin mode)
;
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0353
_diffrn_reflns_av_unetI/netI     0.0678
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            20065
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         27.71
_diffrn_reflns_theta_min         3.08
_exptl_absorpt_coefficient_mu    1.269
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.843
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1490
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.78
_refine_diff_density_min         -0.746
_refine_diff_density_rms         0.154
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.169
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     759
_refine_ls_number_reflns         11621
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.169
_refine_ls_R_factor_all          0.0905
_refine_ls_R_factor_gt           0.0794
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+44.9720P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2052
_refine_ls_wR_factor_ref         0.2095
_reflns_number_gt                9040
_reflns_number_total             11621
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b00499_si_002.cif
_cod_data_source_block           140304-cu-160do
_cod_original_cell_volume        2734.2(11)
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4343210
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_type_symbol
C11 0.9232(8) 0.4888(5) 0.3934(3) 0.0171(14) Uani d . 1 C
C1 1.0854(8) 0.4712(5) 0.3000(3) 0.0150(14) Uani d . 1 C
C39 0.7619(9) 1.1067(5) 0.3100(3) 0.0185(15) Uani d . 1 C
C6 0.9219(9) 0.4431(5) 0.1240(4) 0.0204(15) Uani d . 1 C
H6 0.8306 0.4255 0.1002 0.025 Uiso calc R 1 H
C37 0.9722(9) 1.1152(6) 0.3854(4) 0.0230(16) Uani d . 1 C
C28 0.4140(9) 0.9882(5) 0.1970(4) 0.0210(16) Uani d . 1 C
C41 0.8000(9) 0.9886(5) 0.3804(3) 0.0184(15) Uani d . 1 C
C27 0.5493(9) 0.9641(5) 0.2284(3) 0.0163(14) Uani d . 1 C
C18 1.3818(8) 0.2978(5) 0.3334(4) 0.0192(15) Uani d . 1 C
H18 1.4088 0.2374 0.3176 0.023 Uiso calc R 1 H
C13 1.4685(9) 0.3494(6) 0.3834(4) 0.0219(16) Uani d . 1 C
C20 0.8974(10) 0.6968(6) 0.0846(4) 0.0263(18) Uani d . 1 C
H20 0.868 0.7467 0.1137 0.032 Uiso calc R 1 H
C21 0.7926(10) 0.6293(6) 0.0605(4) 0.0253(17) Uani d . 1 C
C19 1.0449(10) 0.6954(6) 0.0684(4) 0.0268(18) Uani d . 1 C
C42 0.9302(9) 1.0343(5) 0.4085(4) 0.0213(16) Uani d . 1 C
H42 0.988 1.0099 0.4426 0.026 Uiso calc R 1 H
C5 0.9373(9) 0.4393(5) 0.1905(4) 0.0195(15) Uani d . 1 C
C12 0.8188(8) 0.5350(5) 0.4287(4) 0.0187(15) Uani d . 1 C
H12 0.7857 0.5107 0.4658 0.022 Uiso calc R 1 H
C29 0.4002(9) 0.9914(5) 0.1307(4) 0.0206(15) Uani d . 1 C
H29 0.3091 1.0098 0.111 0.025 Uiso calc R 1 H
C7 0.7633(9) 0.6156(6) 0.4099(4) 0.0231(16) Uani d . 1 C
C8 0.8095(9) 0.6524(5) 0.3552(4) 0.0208(16) Uani d . 1 C
H8 0.7697 0.7078 0.3418 0.025 Uiso calc R 1 H
C26 0.6608(9) 0.9368(5) 0.1863(4) 0.0210(16) Uani d . 1 C
C45 0.7482(11) 1.1250(6) 0.0538(4) 0.031(2) Uani d . 1 C
C44 0.6614(10) 1.1958(6) 0.0798(4) 0.0278(18) Uani d . 1 C
H44 0.7082 1.2453 0.1076 0.033 Uiso calc R 1 H
C25 0.6371(9) 0.9396(5) 0.1203(4) 0.0216(16) Uani d . 1 C
H25 0.7127 0.9198 0.0933 0.026 Uiso calc R 1 H
C35 0.3085(9) 0.8019(5) 0.3539(4) 0.0220(16) Uani d . 1 C
H35 0.2683 0.7421 0.3401 0.026 Uiso calc R 1 H
C34 0.4170(9) 0.8408(5) 0.3204(3) 0.0198(15) Uani d . 1 C
C30 0.2621(9) 0.8545(6) 0.4081(4) 0.0229(16) Uani d . 1 C
C2 1.1649(9) 0.4918(5) 0.1256(4) 0.0201(15) Uani d . 1 C
H2 1.2453 0.5089 0.1027 0.024 Uiso calc R 1 H
C43 0.5076(11) 1.1967(6) 0.0665(4) 0.0294(19) Uani d . 1 C
C22 1.1458(11) 0.7735(7) 0.1064(5) 0.037(2) Uani d . 1 C
C46 0.4323(11) 1.2809(7) 0.1041(5) 0.037(2) Uani d . 1 C
C23 0.6365(11) 0.6395(6) 0.0845(4) 0.033(2) Uani d . 1 C
C47 0.9151(12) 1.1338(7) 0.0749(5) 0.040(2) Uani d . 1 C
C17 1.2550(9) 0.3374(5) 0.3072(3) 0.0170(14) Uani d . 1 C
C10 0.9772(8) 0.5202(5) 0.3372(3) 0.0157(14) Uani d . 1 C
C24 0.5770(8) 0.9724(5) 0.2998(3) 0.0160(14) Uani d . 1 C
C15 1.3038(8) 0.4742(5) 0.3823(4) 0.0180(15) Uani d . 1 C
C33 0.4724(8) 0.9313(5) 0.3381(3) 0.0153(14) Uani d . 1 C
C3 1.1866(8) 0.4889(5) 0.1917(4) 0.0184(15) Uani d . 1 C
C38 0.8874(9) 1.1524(5) 0.3371(4) 0.0219(16) Uani d . 1 C
H38 0.9158 1.2093 0.3227 0.026 Uiso calc R 1 H
C40 0.7092(8) 1.0220(5) 0.3302(3) 0.0149(14) Uani d . 1 C
C32 0.4199(8) 0.9793(5) 0.3949(4) 0.0182(15) Uani d . 1 C
C16 1.2132(8) 0.4284(5) 0.3304(3) 0.0145(14) Uani d . 1 C
C31 0.3149(9) 0.9418(5) 0.4292(4) 0.0207(16) Uani d . 1 C
H31 0.2801 0.9754 0.4665 0.025 Uiso calc R 1 H
C9 0.9163(9) 0.6047(5) 0.3211(3) 0.0182(15) Uani d . 1 C
C14 1.4324(9) 0.4369(5) 0.4076(4) 0.0218(16) Uani d . 1 C
H14 1.4943 0.471 0.4409 0.026 Uiso calc R 1 H
C4 1.0696(8) 0.4652(5) 0.2277(3) 0.0152(14) Uani d . 1 C
N1 1.0348(7) 0.4715(4) 0.0926(3) 0.0197(13) Uani d . 1 N
N2 0.5105(8) 0.9695(4) 0.0926(3) 0.0201(13) Uani d . 1 N
O3 0.4252(7) 1.1385(5) 0.0332(3) 0.0349(15) Uani d . 1 O
O4 0.7130(8) 1.0523(4) 0.0177(3) 0.0311(14) Uani d . 1 O
O2 0.8068(7) 0.5557(4) 0.0220(3) 0.0238(12) Uani d . 1 O
O1 1.1070(7) 0.6380(4) 0.0313(3) 0.0294(13) Uani d . 1 O
F1 0.6192(12) 0.5777(10) 0.1239(7) 0.093(6) Uani d P 0.80(2) F
F2 0.6147(11) 0.7202(6) 0.1139(7) 0.066(4) Uani d P 0.80(2) F
F3 0.5355(10) 0.6246(13) 0.0345(6) 0.085(5) Uani d P 0.80(2) F
F4 1.1698(12) 0.7600(8) 0.1666(4) 0.117(5) Uani d . 1 F
F5 1.2712(7) 0.7812(5) 0.0814(4) 0.0581(19) Uani d . 1 F
F6 1.0861(9) 0.8554(5) 0.1082(6) 0.095(3) Uani d . 1 F
F7 0.2938(8) 1.2871(5) 0.0804(4) 0.068(2) Uani d . 1 F
F8 0.5003(9) 1.3595(4) 0.1014(4) 0.066(2) Uani d . 1 F
F9 0.4337(9) 1.2707(6) 0.1660(3) 0.074(2) Uani d . 1 F
F10 0.9566(11) 1.2145(7) 0.1069(7) 0.063(4) Uani d P 0.78(2) F
F11 0.9892(12) 1.1255(12) 0.0235(6) 0.089(5) Uani d P 0.78(2) F
F12 0.9514(11) 1.0663(9) 0.1085(7) 0.090(6) Uani d P 0.78(2) F
Cl8 1.1451(2) 0.26950(12) 0.24865(9) 0.0219(4) Uani d . 1 Cl
Cl5 0.9842(2) 0.38628(13) 0.41877(9) 0.0211(4) Uani d . 1 Cl
Cl15 0.6575(2) 1.15988(12) 0.25220(9) 0.0234(4) Uani d . 1 Cl
Cl7 1.2634(2) 0.58536(12) 0.41560(9) 0.0220(4) Uani d . 1 Cl
Cl12 0.4821(2) 1.09110(12) 0.42192(9) 0.0211(4) Uani d . 1 Cl
Cl2 0.7872(2) 0.39958(15) 0.22616(9) 0.0259(4) Uani d . 1 Cl
Cl16 0.7562(2) 0.88831(13) 0.41092(9) 0.0236(4) Uani d . 1 Cl
Cl9 0.8265(2) 0.89735(15) 0.21609(9) 0.0275(4) Uani d . 1 Cl
Cl1 1.3567(2) 0.52662(15) 0.22881(9) 0.0266(4) Uani d . 1 Cl
Cl10 0.2677(2) 1.02508(15) 0.24013(10) 0.0277(4) Uani d . 1 Cl
Cl13 0.4869(3) 0.76985(13) 0.25758(10) 0.0275(4) Uani d . 1 Cl
Cl4 0.9827(3) 0.66076(13) 0.25972(10) 0.0281(4) Uani d . 1 Cl
Cl11 0.1316(2) 0.80526(15) 0.45168(11) 0.0315(5) Uani d . 1 Cl
Cl3 0.6346(2) 0.67613(14) 0.45449(11) 0.0298(5) Uani d . 1 Cl
Cl6 1.6266(2) 0.30168(14) 0.41579(11) 0.0286(4) Uani d . 1 Cl
Cl14 1.1304(2) 1.17314(15) 0.42142(12) 0.0336(5) Uani d . 1 Cl
Cu1 1 0.5 0 0.0174(3) Uani d S 1 Cu
Cu2 0.5 1 0 0.0196(3) Uani d S 1 Cu
F210 0.945(4) 1.132(3) 0.1444(18) 0.060(12) Uiso d P 0.22(2) F
F211 0.981(6) 1.215(4) 0.074(3) 0.080(16) Uiso d P 0.22(2) F
F212 1.015(4) 1.076(2) 0.0497(18) 0.050(10) Uiso d P 0.22(2) F
F201 0.633(4) 0.641(3) 0.152(2) 0.060(13) Uiso d P 0.20(2) F
F202 0.586(5) 0.723(3) 0.073(3) 0.061(12) Uiso d P 0.20(2) F
F203 0.542(5) 0.584(3) 0.060(2) 0.051(11) Uiso d P 0.20(2) F
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'
O O 0.0106 0.006 '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'
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'
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
C12 C11 C10 123.4(7) . .
C12 C11 Cl5 117.1(6) . .
C10 C11 Cl5 119.4(6) . .
C10 C1 C16 122.7(6) . .
C10 C1 C4 119.7(6) . .
C16 C1 C4 117.6(6) . .
C38 C39 C40 123.8(7) . .
C38 C39 Cl15 116.6(6) . .
C40 C39 Cl15 119.5(6) . .
N1 C6 C5 120.6(7) . .
N1 C6 H6 119.7 . .
C5 C6 H6 119.7 . .
C38 C37 C42 121.2(8) . .
C38 C37 Cl14 120.0(6) . .
C42 C37 Cl14 118.7(6) . .
C29 C28 C27 120.3(7) . .
C29 C28 Cl10 117.7(6) . .
C27 C28 Cl10 121.8(6) . .
C42 C41 C40 123.1(7) . .
C42 C41 Cl16 116.0(5) . .
C40 C41 Cl16 120.9(6) . .
C28 C27 C26 115.3(7) . .
C28 C27 C24 122.5(7) . .
C26 C27 C24 122.0(7) . .
C17 C18 C13 118.4(7) . .
C17 C18 H18 120.8 . .
C13 C18 H18 120.8 . .
C14 C13 C18 122.4(7) . .
C14 C13 Cl6 118.8(6) . .
C18 C13 Cl6 118.9(6) . .
C21 C20 C19 123.6(8) . .
C21 C20 H20 118.2 . .
C19 C20 H20 118.2 . .
O2 C21 C20 129.3(8) . .
O2 C21 C23 113.3(8) . .
C20 C21 C23 117.3(7) . .
O1 C19 C20 129.3(8) . .
O1 C19 C22 116.1(8) . .
C20 C19 C22 114.4(7) . .
C37 C42 C41 118.7(7) . .
C37 C42 H42 120.7 . .
C41 C42 H42 120.7 . .
C6 C5 C4 121.7(7) . .
C6 C5 Cl2 117.2(6) . .
C4 C5 Cl2 121.0(6) . .
C7 C12 C11 119.8(7) . .
C7 C12 H12 120.1 . .
C11 C12 H12 120.1 . .
N2 C29 C28 122.8(7) . .
N2 C29 H29 118.6 . .
C28 C29 H29 118.6 . .
C12 C7 C8 121.2(7) . .
C12 C7 Cl3 120.7(6) . .
C8 C7 Cl3 118.1(6) . .
C9 C8 C7 117.6(7) . .
C9 C8 H8 121.2 . .
C7 C8 H8 121.2 . .
C25 C26 C27 120.8(7) . .
C25 C26 Cl9 118.0(6) . .
C27 C26 Cl9 121.2(6) . .
O4 C45 C44 130.7(9) . .
O4 C45 C47 113.5(9) . .
C44 C45 C47 115.8(8) . .
C45 C44 C43 122.7(8) . .
C45 C44 H44 118.7 . .
C43 C44 H44 118.7 . .
N2 C25 C26 122.1(7) . .
N2 C25 H25 118.9 . .
C26 C25 H25 118.9 . .
C30 C35 C34 117.3(7) . .
C30 C35 H35 121.3 . .
C34 C35 H35 121.3 . .
C35 C34 C33 122.0(7) . .
C35 C34 Cl13 116.7(6) . .
C33 C34 Cl13 121.2(6) . .
C31 C30 C35 123.5(7) . .
C31 C30 Cl11 118.8(6) . .
C35 C30 Cl11 117.7(6) . .
N1 C2 C3 122.3(7) . .
N1 C2 H2 118.9 . .
C3 C2 H2 118.9 . .
O3 C43 C44 129.0(9) . .
O3 C43 C46 117.2(9) . .
C44 C43 C46 113.6(7) . .
F4 C22 F5 109.2(10) . .
F4 C22 F6 104.2(11) . .
F5 C22 F6 106.4(8) . .
F4 C22 C19 111.0(8) . .
F5 C22 C19 112.3(8) . .
F6 C22 C19 113.3(9) . .
F9 C46 F8 105.5(9) . .
F9 C46 F7 108.7(9) . .
F8 C46 F7 108.7(8) . .
F9 C46 C43 110.6(8) . .
F8 C46 C43 113.1(8) . .
F7 C46 C43 110.1(8) . .
F203 C23 F2 126(2) . .
F203 C23 F1 71(2) . .
F2 C23 F1 109.4(11) . .
F203 C23 F3 38.1(18) . .
F2 C23 F3 107.7(10) . .
F1 C23 F3 108.6(12) . .
F203 C23 F202 106(3) . .
F2 C23 F202 38.3(19) . .
F1 C23 F202 139(2) . .
F3 C23 F202 74(2) . .
F203 C23 F201 106(3) . .
F2 C23 F201 66.2(19) . .
F1 C23 F201 45.1(17) . .
F3 C23 F201 134.1(19) . .
F202 C23 F201 103(3) . .
F203 C23 C21 118(2) . .
F2 C23 C21 113.2(9) . .
F1 C23 C21 108.0(8) . .
F3 C23 C21 109.9(8) . .
F202 C23 C21 109(2) . .
F201 C23 C21 114.0(18) . .
F12 C47 F11 107.4(12) . .
F12 C47 F211 130(2) . .
F11 C47 F211 74(2) . .
F12 C47 F10 111.4(12) . .
F11 C47 F10 105.7(11) . .
F211 C47 F10 33(2) . .
F12 C47 F212 64.5(17) . .
F11 C47 F212 42.9(14) . .
F211 C47 F212 101(3) . .
F10 C47 F212 120.8(18) . .
F12 C47 F210 49.3(15) . .
F11 C47 F210 137.4(17) . .
F211 C47 F210 95(3) . .
F10 C47 F210 65.7(17) . .
F212 C47 F210 103(2) . .
F12 C47 C45 108.5(9) . .
F11 C47 C45 109.4(10) . .
F211 C47 C45 118(2) . .
F10 C47 C45 114.2(9) . .
F212 C47 C45 123.0(17) . .
F210 C47 C45 112.0(16) . .
C18 C17 C16 121.4(7) . .
C18 C17 Cl8 117.1(6) . .
C16 C17 Cl8 121.4(6) . .
C11 C10 C9 113.7(7) . .
C11 C10 C1 123.3(6) . .
C9 C10 C1 123.1(6) . .
C33 C24 C40 121.7(6) . .
C33 C24 C27 119.3(7) . .
C40 C24 C27 119.0(6) . .
C14 C15 C16 122.6(7) . .
C14 C15 Cl7 116.3(6) . .
C16 C15 Cl7 121.0(6) . .
C34 C33 C32 116.5(7) . .
C34 C33 C24 121.0(6) . .
C32 C33 C24 122.5(7) . .
C2 C3 C4 120.6(7) . .
C2 C3 Cl1 117.0(6) . .
C4 C3 Cl1 122.1(6) . .
C39 C38 C37 119.3(7) . .
C39 C38 H38 120.4 . .
C37 C38 H38 120.4 . .
C41 C40 C39 113.9(7) . .
C41 C40 C24 122.6(6) . .
C39 C40 C24 123.4(6) . .
C31 C32 C33 122.3(7) . .
C31 C32 Cl12 117.1(6) . .
C33 C32 Cl12 120.6(6) . .
C15 C16 C17 116.6(6) . .
C15 C16 C1 122.5(6) . .
C17 C16 C1 120.8(6) . .
C30 C31 C32 118.2(7) . .
C30 C31 H31 120.9 . .
C32 C31 H31 120.9 . .
C8 C9 C10 124.3(7) . .
C8 C9 Cl4 114.9(5) . .
C10 C9 Cl4 120.6(6) . .
C13 C14 C15 118.6(7) . .
C13 C14 H14 120.7 . .
C15 C14 H14 120.7 . .
C5 C4 C3 115.0(6) . .
C5 C4 C1 123.1(7) . .
C3 C4 C1 121.8(7) . .
C2 N1 C6 119.5(7) . .
C2 N1 Cu1 120.1(5) . .
C6 N1 Cu1 119.9(5) . .
C25 N2 C29 118.4(6) . .
C25 N2 Cu2 119.8(5) . .
C29 N2 Cu2 121.0(5) . .
C43 O3 Cu2 122.3(6) . .
C45 O4 Cu2 124.1(6) . .
C21 O2 Cu1 125.1(6) . .
C19 O1 Cu1 119.8(6) . .
F201 F1 C23 73(2) . .
F201 F1 F203 113(3) . .
C23 F1 F203 51.8(16) . .
F202 F2 C23 74(3) . .
F202 F2 F201 131(4) . .
C23 F2 F201 60.8(18) . .
F203 F3 C23 63(3) . .
F203 F3 F202 108(4) . .
C23 F3 F202 53.1(16) . .
F211 F10 C47 74(4) . .
F211 F10 F210 127(5) . .
C47 F10 F210 61.2(16) . .
F212 F11 C47 71(2) . .
F212 F11 F211 105(3) . .
C47 F11 F211 53.5(19) . .
F210 F12 C47 72.2(19) . .
F210 F12 F212 117(2) . .
C47 F12 F212 59.4(15) . .
N1 Cu1 N1 180.0(3) 2_765 .
N1 Cu1 O2 88.8(2) 2_765 2_765
N1 Cu1 O2 91.2(2) . 2_765
N1 Cu1 O2 91.2(2) 2_765 .
N1 Cu1 O2 88.8(2) . .
O2 Cu1 O2 180.0(3) 2_765 .
N1 Cu1 O1 87.8(2) 2_765 2_765
N1 Cu1 O1 92.2(2) . 2_765
O2 Cu1 O1 88.0(2) 2_765 2_765
O2 Cu1 O1 92.0(2) . 2_765
N1 Cu1 O1 92.2(2) 2_765 .
N1 Cu1 O1 87.8(2) . .
O2 Cu1 O1 92.0(2) 2_765 .
O2 Cu1 O1 88.0(2) . .
O1 Cu1 O1 180.0(4) 2_765 .
N2 Cu2 N2 180.0(3) . 2_675
N2 Cu2 O4 88.3(3) . .
N2 Cu2 O4 91.7(3) 2_675 .
N2 Cu2 O4 91.7(3) . 2_675
N2 Cu2 O4 88.3(3) 2_675 2_675
O4 Cu2 O4 180.0000(10) . 2_675
N2 Cu2 O3 91.0(2) . 2_675
N2 Cu2 O3 89.0(2) 2_675 2_675
O4 Cu2 O3 92.7(2) . 2_675
O4 Cu2 O3 87.3(2) 2_675 2_675
N2 Cu2 O3 89.0(2) . .
N2 Cu2 O3 91.0(2) 2_675 .
O4 Cu2 O3 87.3(2) . .
O4 Cu2 O3 92.7(2) 2_675 .
O3 Cu2 O3 180.0(3) 2_675 .
F12 F210 C47 58.4(18) . .
F12 F210 F10 108(3) . .
C47 F210 F10 53.1(13) . .
F10 F211 C47 74(4) . .
F10 F211 F11 124(6) . .
C47 F211 F11 52(2) . .
F11 F212 C47 66(2) . .
F11 F212 F12 122(3) . .
C47 F212 F12 56.1(15) . .
F1 F201 C23 62(2) . .
F1 F201 F2 113(3) . .
C23 F201 F2 53.1(15) . .
F2 F202 C23 68(3) . .
F2 F202 F3 114(4) . .
C23 F202 F3 52.7(17) . .
F3 F203 C23 79(3) . .
F3 F203 F1 136(5) . .
C23 F203 F1 57(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
C11 C12 . 1.385(10)
C11 C10 . 1.418(9)
C11 Cl5 . 1.721(7)
C1 C10 . 1.449(10)
C1 C16 . 1.458(10)
C1 C4 . 1.490(9)
C39 C38 . 1.367(12)
C39 C40 . 1.436(10)
C39 Cl15 . 1.725(7)
C6 N1 . 1.344(10)
C6 C5 . 1.384(10)
C6 H6 . 0.95
C37 C38 . 1.378(11)
C37 C42 . 1.382(11)
C37 Cl14 . 1.736(8)
C28 C29 . 1.378(11)
C28 C27 . 1.413(11)
C28 Cl10 . 1.724(8)
C41 C42 . 1.406(11)
C41 C40 . 1.410(10)
C41 Cl16 . 1.711(8)
C27 C26 . 1.425(11)
C27 C24 . 1.476(10)
C18 C17 . 1.395(10)
C18 C13 . 1.400(11)
C18 H18 . 0.95
C13 C14 . 1.375(11)
C13 Cl6 . 1.726(8)
C20 C21 . 1.389(12)
C20 C19 . 1.411(12)
C20 H20 . 0.95
C21 O2 . 1.283(10)
C21 C23 . 1.547(12)
C19 O1 . 1.248(10)
C19 C22 . 1.562(13)
C42 H42 . 0.95
C5 C4 . 1.404(11)
C5 Cl2 . 1.728(8)
C12 C7 . 1.367(11)
C12 H12 . 0.95
C29 N2 . 1.347(10)
C29 H29 . 0.95
C7 C8 . 1.398(11)
C7 Cl3 . 1.742(8)
C8 C9 . 1.398(11)
C8 H8 . 0.95
C26 C25 . 1.377(10)
C26 Cl9 . 1.713(8)
C45 O4 . 1.255(10)
C45 C44 . 1.398(13)
C45 C47 . 1.548(14)
C44 C43 . 1.406(13)
C44 H44 . 0.95
C25 N2 . 1.344(10)
C25 H25 . 0.95
C35 C30 . 1.392(11)
C35 C34 . 1.400(11)
C35 H35 . 0.95
C34 C33 . 1.409(10)
C34 Cl13 . 1.743(8)
C30 C31 . 1.371(11)
C30 Cl11 . 1.743(8)
C2 N1 . 1.334(10)
C2 C3 . 1.375(10)
C2 H2 . 0.95
C43 O3 . 1.242(11)
C43 C46 . 1.578(13)
C22 F4 . 1.287(12)
C22 F5 . 1.301(11)
C22 F6 . 1.316(12)
C46 F9 . 1.306(11)
C46 F8 . 1.307(12)
C46 F7 . 1.325(12)
C23 F203 . 1.21(4)
C23 F2 . 1.293(12)
C23 F1 . 1.296(12)
C23 F3 . 1.330(14)
C23 F202 . 1.34(4)
C23 F201 . 1.41(4)
C47 F12 . 1.298(14)
C47 F11 . 1.303(14)
C47 F211 . 1.32(5)
C47 F10 . 1.324(14)
C47 F212 . 1.35(4)
C47 F210 . 1.45(4)
C17 C16 . 1.430(10)
C17 Cl8 . 1.729(7)
C10 C9 . 1.419(10)
C24 C33 . 1.452(10)
C24 C40 . 1.461(11)
C15 C14 . 1.386(11)
C15 C16 . 1.408(10)
C15 Cl7 . 1.749(8)
C33 C32 . 1.426(10)
C3 C4 . 1.409(10)
C3 Cl1 . 1.731(8)
C38 H38 . 0.95
C32 C31 . 1.379(11)
C32 Cl12 . 1.741(8)
C31 H31 . 0.95
C9 Cl4 . 1.730(7)
C14 H14 . 0.95
N1 Cu1 . 2.012(6)
N2 Cu2 . 2.014(6)
O3 Cu2 . 2.199(7)
O4 Cu2 . 2.067(7)
O2 Cu1 . 2.012(6)
O1 Cu1 . 2.238(6)
F1 F201 . 1.04(4)
F1 F203 . 1.45(5)
F2 F202 . 0.86(4)
F2 F201 . 1.48(4)
F3 F203 . 0.84(4)
F3 F202 . 1.61(5)
F10 F211 . 0.74(5)
F10 F210 . 1.51(4)
F11 F212 . 0.97(3)
F11 F211 . 1.59(5)
F12 F210 . 1.16(4)
F12 F212 . 1.41(4)
Cu1 N1 2_765 2.012(6)
Cu1 O2 2_765 2.012(6)
Cu1 O1 2_765 2.238(6)
Cu2 N2 2_675 2.014(6)
Cu2 O4 2_675 2.067(7)
Cu2 O3 2_675 2.199(7)
