#------------------------------------------------------------------------------
#$Date: 2019-11-15 10:40:50 +0100 (vie 15 de nov de 2019) $
#$Revision: 227875 $
#$URL: svn://www.crystallography.net/cod/cif/7/23/51/7235129.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_7235129
loop_
_publ_author_name
'N. A. Artiukhova'
'G. V. Romanenko'
'A. S. Bogomyakov'
'I. Yu. Barskaya'
'S. L. Veber'
'M. V. Fedin'
'K. Yu. Maryunina'
'K. Inoue'
'V. I. Ovcharenko'
_publ_section_title
;
 Cu(ii) complex with nitronyl nitroxide whose paramagnetism is suppressed
 by temperature decrease and/or pressure increase
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              11157
_journal_page_last               11163
_journal_paper_doi               10.1039/C6TC03216H
_journal_volume                  4
_journal_year                    2016
_chemical_formula_sum            'C26 H25 Cu F12 N4 O6'
_chemical_formula_weight         781.04
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                105.066(5)
_cell_angle_beta                 95.834(5)
_cell_angle_gamma                109.950(6)
_cell_formula_units_Z            2
_cell_length_a                   11.4229(9)
_cell_length_b                   11.4410(9)
_cell_length_c                   14.0936(11)
_cell_measurement_reflns_used    3494
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      19.30
_cell_measurement_theta_min      2.19
_cell_volume                     1634.7(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0539
_diffrn_reflns_av_unetI/netI     0.1110
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            26753
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.008
_diffrn_reflns_theta_min         1.940
_exptl_absorpt_coefficient_mu    0.781
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            dark
_exptl_crystal_density_diffrn    1.587
_exptl_crystal_description       bulk
_exptl_crystal_F_000             788
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.376
_refine_diff_density_min         -0.297
_refine_diff_density_rms         0.055
_refine_ls_extinction_coef       0.0035(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.909
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     546
_refine_ls_number_reflns         7807
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.920
_refine_ls_R_factor_all          0.1822
_refine_ls_R_factor_gt           0.0549
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0868P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1385
_refine_ls_wR_factor_ref         0.1855
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2827
_reflns_number_total             7807
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            J-Mater-Chem-C-2016-4-11157.cif
_cod_data_source_block           83
_cod_database_code               7235129
_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. 
;
_shelxl_version_number           2014/6
loop_
_space_group_symop_operation_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_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 0.0000 0.0000 0.0000 0.0705(3) Uani 1 2 d S . P . .
O1 O 0.4492(3) 0.3526(3) 0.3766(2) 0.0673(8) Uani 1 1 d . . . . .
C1 C 0.4119(9) 0.1440(7) 0.2680(5) 0.0963(18) Uani 1 1 d . . . . .
F1 F 0.5146(16) 0.1974(18) 0.2209(12) 0.180(7) Uani 0.5 1 d . . P A 1
F2 F 0.312(2) 0.128(2) 0.2152(12) 0.198(12) Uani 0.5 1 d . . P A 1
F3 F 0.425(2) 0.0373(15) 0.2655(13) 0.121(7) Uani 0.5 1 d . . P A 1
F1A F 0.468(3) 0.068(2) 0.2592(18) 0.196(12) Uani 0.5 1 d . . P A 2
F2A F 0.4262(17) 0.1937(11) 0.2013(9) 0.113(4) Uani 0.5 1 d . . P A 2
F3A F 0.2856(16) 0.0663(16) 0.2472(12) 0.165(9) Uani 0.5 1 d . . P A 2
C2 C 0.4411(4) 0.2397(5) 0.3744(3) 0.0703(12) Uani 1 1 d . . . . .
C3 C 0.4533(5) 0.1937(5) 0.4538(4) 0.0857(14) Uani 1 1 d . . . . .
H3A H 0.4455 0.1071 0.4408 0.103 Uiso 1 1 calc R U . . .
C4 C 0.4764(4) 0.2698(5) 0.5515(4) 0.0727(12) Uani 1 1 d . . . . .
C5 C 0.4872(11) 0.2106(7) 0.6365(6) 0.113(2) Uani 1 1 d . . . . .
F6 F 0.4612(10) 0.0881(5) 0.6053(3) 0.221(3) Uani 1 1 d . . . . .
F4 F 0.607(2) 0.229(3) 0.662(2) 0.208(12) Uani 0.5 1 d . . P B 1
F5 F 0.4572(19) 0.2604(12) 0.7129(8) 0.123(5) Uani 0.5 1 d . . P B 1
F4A F 0.595(3) 0.280(2) 0.7006(13) 0.188(13) Uani 0.5 1 d . . P B 2
F5A F 0.385(2) 0.198(2) 0.675(2) 0.262(12) Uani 0.5 1 d . . P B 2
O2 O 0.4919(3) 0.3879(3) 0.5834(2) 0.0693(8) Uani 1 1 d . . . . .
Cu2 Cu 0.5000 0.5000 0.5000 0.0633(3) Uani 1 2 d S . P . .
O3 O 0.1538(3) 0.0623(3) -0.0495(2) 0.0741(8) Uani 1 1 d . . . . .
C6 C 0.3466(9) 0.0773(10) -0.0990(9) 0.112(3) Uani 1 1 d . . . . .
F7 F 0.412(3) 0.191(2) -0.044(2) 0.202(10) Uani 0.5 1 d . . P C 1
F8 F 0.418(3) 0.020(3) -0.116(3) 0.229(14) Uani 0.5 1 d . . P C 1
F9 F 0.302(2) 0.085(4) -0.178(2) 0.223(13) Uani 0.5 1 d . . P C 1
F7A F 0.359(2) 0.202(2) -0.100(2) 0.156(8) Uani 0.5 1 d . . P C 2
F8A F 0.4502(12) 0.068(3) -0.068(2) 0.193(13) Uani 0.5 1 d . . P C 2
F9A F 0.3136(18) 0.0144(18) -0.2015(10) 0.129(6) Uani 0.5 1 d . . P C 2
C7 C 0.2372(4) 0.0134(5) -0.0525(3) 0.0730(13) Uani 1 1 d . . . . .
C8 C 0.2419(5) -0.0851(5) -0.0178(4) 0.0801(14) Uani 1 1 d . . . . .
H8A H 0.3083 -0.1134 -0.0272 0.096 Uiso 1 1 calc R U . . .
C9 C 0.1519(5) -0.1452(4) 0.0311(3) 0.0735(13) Uani 1 1 d . . . . .
C10 C 0.1639(8) -0.2582(7) 0.0651(6) 0.0994(18) Uani 1 1 d . . . . .
F10 F 0.118(4) -0.272(3) 0.1382(15) 0.195(12) Uani 0.56(3) 1 d . . P D 1
F11 F 0.2814(11) -0.2589(18) 0.073(3) 0.176(10) Uani 0.56(3) 1 d . . P D 1
F12 F 0.102(2) -0.3636(12) -0.0090(15) 0.134(7) Uani 0.56(3) 1 d . . P D 1
F10A F 0.062(2) -0.326(3) 0.088(4) 0.25(2) Uani 0.44(3) 1 d . . P D 2
F11A F 0.247(3) -0.2210(14) 0.1414(17) 0.162(12) Uani 0.44(3) 1 d . . P D 2
F12A F 0.185(6) -0.344(4) -0.001(2) 0.200(17) Uani 0.44(3) 1 d . . P D 2
O4 O 0.0577(3) -0.1185(3) 0.0526(2) 0.0727(8) Uani 1 1 d . . . . .
O1R O 0.2905(3) 0.5023(3) 0.5030(2) 0.0765(9) Uani 1 1 d . . . . .
N2R N 0.1901(4) 0.4108(4) 0.5104(2) 0.0632(9) Uani 1 1 d . . . . .
C3R C 0.1440(4) 0.4187(4) 0.6065(3) 0.0677(12) Uani 1 1 d . . . . .
C4R C 0.2515(5) 0.4602(6) 0.6957(3) 0.0964(17) Uani 1 1 d . . . . .
H4RA H 0.2471 0.3859 0.7184 0.116 Uiso 1 1 calc R U . . .
H4RB H 0.3330 0.4933 0.6771 0.116 Uiso 1 1 calc R U . . .
C5R C 0.2387(10) 0.5585(13) 0.7727(6) 0.343(10) Uani 1 1 d . . . . .
H5RA H 0.3191 0.6334 0.7956 0.411 Uiso 1 1 calc R U . . .
H5RB H 0.2207 0.5261 0.8289 0.411 Uiso 1 1 calc R U . . .
C6R C 0.1403(7) 0.6008(7) 0.7429(5) 0.150(3) Uani 1 1 d . . . . .
H6RA H 0.1725 0.6954 0.7597 0.180 Uiso 1 1 calc R U . . .
H6RB H 0.0694 0.5726 0.7752 0.180 Uiso 1 1 calc R U . . .
C7R C 0.1003(6) 0.5358(5) 0.6301(4) 0.0959(16) Uani 1 1 d . . . . .
H7RA H 0.1404 0.5971 0.5957 0.115 Uiso 1 1 calc R U . . .
H7RB H 0.0086 0.5051 0.6087 0.115 Uiso 1 1 calc R U . . .
C8R C 0.0371(5) 0.2826(5) 0.5795(3) 0.0848(15) Uani 1 1 d . . . . .
C9R C -0.0937(6) 0.2763(7) 0.6105(4) 0.143(3) Uani 1 1 d . . . . .
H9RA H -0.0798 0.3412 0.6749 0.172 Uiso 1 1 calc R U . . .
H9RB H -0.1476 0.2901 0.5603 0.172 Uiso 1 1 calc R U . . .
C10R C -0.1518(13) 0.1388(10) 0.6165(8) 0.290(9) Uani 1 1 d . . . . .
H10A H -0.1957 0.0759 0.5507 0.348 Uiso 1 1 calc R U . . .
H10B H -0.2109 0.1333 0.6615 0.348 Uiso 1 1 calc R U . . .
C11R C -0.0258(19) 0.1149(14) 0.6611(11) 0.326(12) Uani 1 1 d . . . . .
H11A H -0.0016 0.1528 0.7337 0.391 Uiso 1 1 calc R U . . .
H11B H -0.0421 0.0222 0.6432 0.391 Uiso 1 1 calc R U . . .
C12R C 0.0723(10) 0.1806(6) 0.6142(6) 0.190(4) Uani 1 1 d . . . . .
H12A H 0.0805 0.1172 0.5571 0.228 Uiso 1 1 calc R U . . .
H12B H 0.1534 0.2231 0.6618 0.228 Uiso 1 1 calc R U . . .
N13R N 0.0151(4) 0.2388(4) 0.4679(3) 0.0828(12) Uani 1 1 d . . . . .
C14R C 0.1086(4) 0.3109(4) 0.4331(3) 0.0612(11) Uani 1 1 d . . . . .
O14R O -0.0803(4) 0.1369(4) 0.4136(3) 0.1276(16) Uani 1 1 d . . . . .
C16R C 0.1180(4) 0.2868(4) 0.3292(3) 0.0617(11) Uani 1 1 d . . . . .
C17R C 0.0477(4) 0.1753(4) 0.2470(3) 0.0698(12) Uani 1 1 d . . . . .
H17A H -0.0149 0.1008 0.2517 0.084 Uiso 1 1 calc R U . . .
N18R N 0.0805(4) 0.1884(4) 0.1619(3) 0.0728(10) Uani 1 1 d . . . . .
N19R N 0.1734(4) 0.3092(4) 0.1898(3) 0.0770(11) Uani 1 1 d . . . . .
C20R C 0.2277(7) 0.3622(7) 0.1112(4) 0.143(3) Uani 1 1 d D . . . .
H20A H 0.2142 0.2884 0.0526 0.172 Uiso 1 1 calc R U . . .
H20B H 0.1788 0.4100 0.0920 0.172 Uiso 1 1 calc R U . . .
C21R C 0.3424(12) 0.4352(12) 0.1316(8) 0.371(12) Uani 1 1 d D . . . .
H21A H 0.3645 0.4620 0.0746 0.445 Uiso 1 1 calc R U . . .
H21B H 0.3578 0.5111 0.1878 0.445 Uiso 1 1 calc R U . . .
H21G H 0.3933 0.3889 0.1483 0.445 Uiso 1 1 calc R U . . .
C22R C 0.1983(4) 0.3705(4) 0.2885(3) 0.0699(12) Uani 1 1 d . . . . .
H22A H 0.2585 0.4541 0.3230 0.084 Uiso 1 1 calc R U . . .
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'
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'
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
O3 Cu1 O3 180.0 2 .
O3 Cu1 O4 87.83(13) 2 .
O3 Cu1 O4 92.17(13) . .
O3 Cu1 O4 92.17(13) 2 2
O3 Cu1 O4 87.84(13) . 2
O4 Cu1 O4 180.0 . 2
O3 Cu1 N18R 93.88(12) 2 2
O3 Cu1 N18R 86.12(12) . 2
O4 Cu1 N18R 84.01(12) . 2
O4 Cu1 N18R 95.99(12) 2 2
O3 Cu1 N18R 86.12(12) 2 .
O3 Cu1 N18R 93.88(12) . .
O4 Cu1 N18R 95.99(12) . .
O4 Cu1 N18R 84.01(12) 2 .
N18R Cu1 N18R 180.0 2 .
C2 O1 Cu2 123.8(3) . .
F2A C1 F1A 108.6(16) . .
F2 C1 F3 113.5(15) . .
F2A C1 F3A 105.4(12) . .
F1A C1 F3A 105.3(16) . .
F2 C1 F1 107.9(16) . .
F3 C1 F1 98.7(15) . .
F2A C1 C2 115.6(7) . .
F2 C1 C2 114.1(8) . .
F1A C1 C2 114.6(12) . .
F3 C1 C2 114.0(9) . .
F3A C1 C2 106.5(9) . .
F1 C1 C2 107.1(8) . .
O1 C2 C3 128.1(4) . .
O1 C2 C1 114.1(5) . .
C3 C2 C1 117.9(5) . .
O1 C2 Cu2 34.71(18) . .
C3 C2 Cu2 93.5(3) . .
C1 C2 Cu2 148.5(4) . .
C4 C3 C2 122.7(4) . .
C4 C3 Cu2 61.3(3) . .
C2 C3 Cu2 61.5(3) . .
O2 C4 C3 127.7(4) . .
O2 C4 C5 112.7(5) . .
C3 C4 C5 119.6(5) . .
O2 C4 Cu2 34.09(19) . .
C3 C4 Cu2 93.7(3) . .
C5 C4 Cu2 146.5(4) . .
F5 C5 F6 121.1(10) . .
F5 C5 F4 106.5(15) . .
F6 C5 F4 88.6(14) . .
F6 C5 F4A 115.0(12) . .
F6 C5 F5A 94.0(13) . .
F4A C5 F5A 114.9(17) . .
F5 C5 C4 115.2(9) . .
F6 C5 C4 113.5(6) . .
F4 C5 C4 106.9(13) . .
F4A C5 C4 110.5(14) . .
F5A C5 C4 107.9(11) . .
C4 O2 Cu2 124.7(3) . .
O2 Cu2 O2 180.00(19) 2_666 .
O2 Cu2 O1 87.80(12) 2_666 .
O2 Cu2 O1 92.20(12) . .
O2 Cu2 O1 92.20(12) 2_666 2_666
O2 Cu2 O1 87.80(12) . 2_666
O1 Cu2 O1 180.0 . 2_666
O2 Cu2 O1R 96.36(12) 2_666 2_666
O2 Cu2 O1R 83.64(12) . 2_666
O1 Cu2 O1R 84.00(11) . 2_666
O1 Cu2 O1R 96.00(11) 2_666 2_666
O2 Cu2 O1R 83.64(12) 2_666 .
O2 Cu2 O1R 96.36(12) . .
O1 Cu2 O1R 96.00(11) . .
O1 Cu2 O1R 84.00(11) 2_666 .
O1R Cu2 O1R 180.0 2_666 .
C7 O3 Cu1 124.8(3) . .
F8 C6 F9 107.6(19) . .
F8 C6 F7 108(2) . .
F9 C6 F7 106.8(19) . .
F8A C6 F9A 106.1(14) . .
F8A C6 F7A 114.3(17) . .
F9A C6 F7A 98.5(18) . .
F8 C6 C7 115.7(14) . .
F9 C6 C7 108.2(13) . .
F7 C6 C7 110.5(11) . .
F8A C6 C7 114.4(13) . .
F9A C6 C7 108.3(10) . .
F7A C6 C7 113.5(10) . .
O3 C7 C8 128.0(5) . .
O3 C7 C6 114.4(6) . .
C8 C7 C6 117.6(6) . .
O3 C7 Cu1 33.9(2) . .
C8 C7 Cu1 94.2(3) . .
C6 C7 Cu1 148.3(5) . .
C7 C8 C9 122.7(5) . .
C7 C8 Cu1 61.2(3) . .
C9 C8 Cu1 61.7(3) . .
O4 C9 C8 127.7(5) . .
O4 C9 C10 113.7(5) . .
C8 C9 C10 118.6(5) . .
O4 C9 Cu1 35.1(2) . .
C8 C9 Cu1 93.1(3) . .
C10 C9 Cu1 147.8(5) . .
F11A C10 F12A 107.2(15) . .
F11A C10 F10A 104.0(18) . .
F12A C10 F10A 102.9(19) . .
F10 C10 F12 107.2(16) . .
F10 C10 F11 113.4(14) . .
F12 C10 F11 100.6(12) . .
F10 C10 C9 114.5(8) . .
F11A C10 C9 113.1(9) . .
F12A C10 C9 115.1(11) . .
F10A C10 C9 113.4(12) . .
F12 C10 C9 106.4(9) . .
F11 C10 C9 113.3(8) . .
C9 O4 Cu1 123.3(3) . .
N2R O1R Cu2 127.9(2) . .
O1R N2R C14R 124.8(3) . .
O1R N2R C3R 122.0(3) . .
C14R N2R C3R 112.6(4) . .
N2R C3R C4R 112.0(4) . .
N2R C3R C8R 101.3(3) . .
C4R C3R C8R 118.5(4) . .
N2R C3R C7R 107.5(4) . .
C4R C3R C7R 102.2(4) . .
C8R C3R C7R 115.3(4) . .
C5R C4R C3R 107.9(5) . .
C4R C5R C6R 113.8(6) . .
C5R C6R C7R 104.1(5) . .
C6R C7R C3R 106.4(5) . .
N13R C8R C12R 106.7(4) . .
N13R C8R C3R 101.5(4) . .
C12R C8R C3R 115.9(5) . .
N13R C8R C9R 108.2(4) . .
C12R C8R C9R 106.5(6) . .
C3R C8R C9R 117.2(4) . .
C10R C9R C8R 103.2(8) . .
C9R C10R C11R 102.3(9) . .
C12R C11R C10R 104.2(9) . .
C11R C12R C8R 109.3(9) . .
O14R N13R C14R 124.9(4) . .
O14R N13R C8R 122.0(4) . .
C14R N13R C8R 113.0(4) . .
N2R C14R N13R 108.5(4) . .
N2R C14R C16R 125.8(4) . .
N13R C14R C16R 125.6(4) . .
C22R C16R C17R 104.3(4) . .
C22R C16R C14R 127.1(4) . .
C17R C16R C14R 128.6(4) . .
N18R C17R C16R 112.0(4) . .
C17R N18R N19R 104.0(3) . .
C17R N18R Cu1 122.3(3) . .
N19R N18R Cu1 132.8(3) . .
C22R N19R N18R 112.8(4) . .
C22R N19R C20R 127.9(4) . .
N18R N19R C20R 119.2(4) . .
C21R C20R N19R 118.3(8) . .
N19R C22R C16R 106.9(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O3 1.933(3) 2
Cu1 O3 1.933(3) .
Cu1 O4 1.963(3) .
Cu1 O4 1.963(3) 2
Cu1 N18R 2.523(4) 2
Cu1 N18R 2.523(4) .
O1 C2 1.255(5) .
O1 Cu2 1.951(3) .
C1 F2A 1.217(12) .
C1 F2 1.224(14) .
C1 F1A 1.23(2) .
C1 F3 1.27(2) .
C1 F3A 1.365(17) .
C1 F1 1.439(16) .
C1 C2 1.534(7) .
C2 C3 1.369(6) .
C2 Cu2 2.847(4) .
C3 C4 1.367(6) .
C3 Cu2 3.234(5) .
C4 O2 1.250(5) .
C4 C5 1.536(7) .
C4 Cu2 2.843(5) .
C5 F5 1.221(16) .
C5 F6 1.271(7) .
C5 F4 1.30(3) .
C5 F4A 1.31(3) .
C5 F5A 1.32(2) .
O2 Cu2 1.939(3) .
Cu2 O2 1.939(3) 2_666
Cu2 O1 1.951(3) 2_666
Cu2 O1R 2.406(3) 2_666
Cu2 O1R 2.406(3) .
O3 C7 1.258(5) .
C6 F8 1.212(19) .
C6 F9 1.22(2) .
C6 F7 1.24(2) .
C6 F8A 1.264(18) .
C6 F9A 1.38(2) .
C6 F7A 1.39(2) .
C6 C7 1.522(8) .
C7 C8 1.355(7) .
C8 C9 1.382(7) .
C9 O4 1.259(5) .
C9 C10 1.533(7) .
C10 F10 1.227(14) .
C10 F11A 1.231(14) .
C10 F12A 1.275(19) .
C10 F10A 1.28(2) .
C10 F12 1.288(16) .
C10 F11 1.339(13) .
O1R N2R 1.298(4) .
N2R C14R 1.334(5) .
N2R C3R 1.495(5) .
C3R C4R 1.514(6) .
C3R C8R 1.536(6) .
C3R C7R 1.554(6) .
C4R C5R 1.405(8) .
C5R C6R 1.433(10) .
C6R C7R 1.514(7) .
C8R N13R 1.487(5) .
C8R C12R 1.530(8) .
C8R C9R 1.583(7) .
C9R C10R 1.514(11) .
C10R C11R 1.648(19) .
C11R C12R 1.446(14) .
N13R O14R 1.277(4) .
N13R C14R 1.333(5) .
C14R C16R 1.441(5) .
C16R C22R 1.371(6) .
C16R C17R 1.399(5) .
C17R N18R 1.321(5) .
N18R N19R 1.350(5) .
N19R C22R 1.335(5) .
N19R C20R 1.488(6) .
C20R C21R 1.244(10) .
