#------------------------------------------------------------------------------
#$Date: 2023-12-08 16:16:31 +0200 (Fri, 08 Dec 2023) $
#$Revision: 288183 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/31/05/4310536.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_4310536
loop_
_publ_author_name
'Sergei Fokin'
'Victor Ovcharenko'
'Galina Romanenko'
'Vladimir Ikorskii'
_publ_section_title
;
 Problem of a Wide Variety of Products in the Cu(hfac)2-Nitroxide System
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              969
_journal_page_last               977
_journal_paper_doi               10.1021/ic034964d
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C60 H58 Cu3 F36 N8 O16'
_chemical_formula_weight         2021.76
_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                96.90(3)
_cell_angle_beta                 104.20(3)
_cell_angle_gamma                115.90(3)
_cell_formula_units_Z            1
_cell_length_a                   12.462(3)
_cell_length_b                   13.527(3)
_cell_length_c                   14.963(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2123.7(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.0146
_diffrn_reflns_av_sigmaI/netI    0.0453
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7792
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.87
_exptl_absorpt_coefficient_mu    0.885
_exptl_crystal_density_diffrn    1.581
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1013
_refine_diff_density_max         0.670
_refine_diff_density_min         -0.984
_refine_diff_density_rms         0.075
_refine_ls_extinction_coef       0.0035(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     631
_refine_ls_number_reflns         7421
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.1100
_refine_ls_R_factor_gt           0.0755
_refine_ls_shift/su_max          2.921
_refine_ls_shift/su_mean         0.127
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1229P)²+1.7081P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2067
_refine_ls_wR_factor_ref         0.2340
_reflns_number_gt                4704
_reflns_number_total             7421
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034964dsi20030813_090632_14.cif
_cod_data_source_block           aa
_cod_depositor_comments
;
The following automatic conversions were performed:

data name '_atom_site_symetry_multiplicity' was replaced with
'_atom_site_symmetry_multiplicity' as specified in the replacement
file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_original_cell_volume        2123.7(7)
_cod_database_code               4310536
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 0.0000 0.0000 0.0000 0.06441(9) Uani 1 2 d S . .
O1 O 0.14428(9) -0.02575(8) 0.00442(7) 0.0726(4) Uani 1 1 d . . .
C1 C 0.35074(17) 0.0065(2) 0.03934(18) 0.1256(10) Uani 1 1 d . . .
F1 F 0.34495(14) -0.07501(14) 0.08473(16) 0.2207(9) Uani 1 1 d . . .
F2 F 0.46609(11) 0.08368(14) 0.07926(15) 0.1965(8) Uani 1 1 d . . .
F3 F 0.32489(11) -0.04268(15) -0.04453(10) 0.1953(7) Uani 1 1 d . . .
C2 C 0.25535(14) 0.04329(14) 0.05668(12) 0.0805(6) Uani 1 1 d . . .
C3 C 0.29799(17) 0.14262(17) 0.12273(15) 0.1007(8) Uani 1 1 d . . .
H3A H 0.3724(13) 0.1788(12) 0.1550(10) 0.083(5) Uiso 1 1 d . . .
C4 C 0.21987(15) 0.18282(14) 0.14087(12) 0.0812(7) Uani 1 1 d . . .
C5 C 0.2796(2) 0.2954(2) 0.21510(17) 0.1307(10) Uani 1 1 d . . .
F4 F 0.25464(18) 0.36874(14) 0.18335(18) 0.2266(11) Uani 1 1 d . . .
F5 F 0.39224(15) 0.34092(15) 0.25822(15) 0.2589(10) Uani 1 1 d . . .
F6 F 0.2186(2) 0.28559(18) 0.27440(12) 0.2693(12) Uani 1 1 d . . .
O2 O 0.10433(9) 0.13996(8) 0.10258(7) 0.0720(4) Uani 1 1 d . . .
Cu2 Cu 0.009334(17) 0.301221(17) -0.442388(13) 0.07910(8) Uani 1 1 d . . .
O3 O 0.09159(11) 0.19202(10) -0.46667(9) 0.0959(5) Uani 1 1 d . . .
C6 C 0.2478(2) 0.1471(2) -0.48019(18) 0.1331(10) Uani 1 1 d . . .
F7 F 0.23904(16) 0.10097(13) -0.41016(13) 0.2296(8) Uani 1 1 d . . .
F8 F 0.35946(14) 0.18729(15) -0.47777(19) 0.2402(11) Uani 1 1 d . . .
F9 F 0.18033(19) 0.06190(16) -0.55488(16) 0.2387(11) Uani 1 1 d . . .
C7 C 0.19350(16) 0.23119(15) -0.47990(12) 0.0899(7) Uani 1 1 d . . .
C8 C 0.26331(15) 0.33670(17) -0.49485(13) 0.0931(7) Uani 1 1 d . . .
H8A H 0.3261(11) 0.3477(10) -0.4972(9) 0.060(4) Uiso 1 1 d . . .
C9 C 0.22159(14) 0.41447(14) -0.50364(11) 0.0776(6) Uani 1 1 d . . .
C10 C 0.30551(16) 0.52602(18) -0.52090(14) 0.1030(8) Uani 1 1 d . . .
F10 F 0.25502(15) 0.55450(12) -0.58442(12) 0.2536(8) Uani 1 1 d . . .
F11 F 0.40081(13) 0.53116(14) -0.54207(15) 0.2266(9) Uani 1 1 d . . .
F12 F 0.3557(2) 0.60509(15) -0.44960(14) 0.2626(14) Uani 1 1 d . . .
O4 O 0.11985(9) 0.40732(9) -0.49949(7) 0.0840(4) Uani 1 1 d . . .
O5 O -0.10665(10) 0.24349(11) -0.37523(8) 0.0898(5) Uani 1 1 d . . .
C11 C -0.2917(2) 0.1425(3) -0.34067(17) 0.1841(15) Uani 1 1 d . . .
F13 F -0.39830(16) 0.0815(4) -0.37166(14) 0.476(3) Uani 1 1 d . . .
F14 F -0.2658(2) 0.0657(2) -0.30851(13) 0.3912(14) Uani 1 1 d . . .
F15 F -0.25122(17) 0.2046(2) -0.26830(11) 0.2901(15) Uani 1 1 d . . .
C12 C -0.22142(16) 0.17332(17) -0.41318(13) 0.0936(8) Uani 1 1 d . . .
C13 C -0.29052(17) 0.12859(19) -0.50937(14) 0.1037(9) Uani 1 1 d . . .
H13A H -0.3676(15) 0.0866(14) -0.5312(12) 0.106(6) Uiso 1 1 d . . .
C14 C -0.23755(15) 0.15951(13) -0.57802(12) 0.0784(6) Uani 1 1 d . . .
C15 C -0.32399(18) 0.10845(17) -0.68132(13) 0.0958(8) Uani 1 1 d . . .
F16 F -0.39192(17) -0.00002(11) -0.70223(10) 0.1683(9) Uani 1 1 d . . .
F17 F -0.40187(13) 0.14926(13) -0.70042(10) 0.1693(7) Uani 1 1 d . . .
F18 F -0.26463(13) 0.13478(13) -0.74252(8) 0.1445(7) Uani 1 1 d . . .
O6 O -0.12623(10) 0.22694(10) -0.56564(8) 0.0909(5) Uani 1 1 d . . .
O01 O 0.14467(9) 0.37712(9) -0.32099(7) 0.0798(4) Uani 1 1 d . . .
N1 N 0.12537(11) 0.42188(10) -0.24869(9) 0.0774(5) Uani 1 1 d . . .
C01 C 0.14771(18) 0.54193(14) -0.22960(13) 0.0952(8) Uani 1 1 d . . .
C011 C 0.08413(19) 0.56205(15) -0.32176(14) 0.1029(8) Uani 1 1 d . . .
H01A H 0.1323(13) 0.5627(12) -0.3608(10) 0.082(5) Uiso 1 1 d . . .
H01B H 0.1117(16) 0.6303(15) -0.3031(13) 0.123(7) Uiso 1 1 d . . .
H01C H -0.0064(13) 0.5007(12) -0.3567(11) 0.085(5) Uiso 1 1 d . . .
C012 C 0.2919(2) 0.61733(19) -0.19978(19) 0.1384(12) Uani 1 1 d . . .
H01D H 0.317(2) 0.600(2) -0.2410(18) 0.175(10) Uiso 1 1 d . . .
H01E H 0.325(2) 0.624(2) -0.1372(18) 0.178(10) Uiso 1 1 d . . .
H01F H 0.3221(18) 0.6974(17) -0.1960(14) 0.133(8) Uiso 1 1 d . . .
C02 C 0.08960(19) 0.54461(14) -0.15022(14) 0.0972(8) Uani 1 1 d . . .
C021 C 0.1636(3) 0.65386(18) -0.06842(19) 0.1587(15) Uani 1 1 d . . .
H02A H 0.1198 0.6475 -0.0230 0.173(10) Uiso 1 1 calc R . .
H02B H 0.1706 0.7177 -0.0935 0.263(16) Uiso 1 1 calc R . .
H02C H 0.2466 0.6648 -0.0376 0.215(13) Uiso 1 1 calc R . .
C022 C -0.0528(2) 0.50795(18) -0.18658(16) 0.1189(9) Uani 1 1 d . . .
H02D H -0.0754(17) 0.5050(16) -0.1270(13) 0.127(7) Uiso 1 1 d . . .
H02E H -0.1120(16) 0.4369(14) -0.2379(13) 0.114(6) Uiso 1 1 d . . .
H02F H -0.052(2) 0.5773(18) -0.1942(17) 0.160(9) Uiso 1 1 d . . .
N2 N 0.09628(15) 0.44925(11) -0.11238(10) 0.0944(6) Uani 1 1 d . . .
O02 O 0.08436(15) 0.43477(12) -0.03271(9) 0.1311(7) Uani 1 1 d . . .
C03 C 0.10270(15) 0.37531(13) -0.17752(11) 0.0754(6) Uani 1 1 d . . .
C04 C 0.08869(14) 0.26618(13) -0.16922(10) 0.0730(6) Uani 1 1 d . . .
C05 C 0.06128(16) 0.21446(13) -0.09632(11) 0.0823(6) Uani 1 1 d . . .
H05A H 0.0487(12) 0.2460(11) -0.0453(10) 0.073(4) Uiso 1 1 d . . .
N3 N 0.05165(13) 0.11297(11) -0.11152(9) 0.0868(5) Uani 1 1 d . . .
N4 N 0.07379(12) 0.09740(11) -0.19569(9) 0.0813(5) Uani 1 1 d . . .
C041 C 0.07337(19) -0.00621(16) -0.23483(14) 0.1142(8) Uani 1 1 d . . .
H04A H 0.0905 -0.0027 -0.2939 0.120(7) Uiso 1 1 calc R . .
H04B H -0.0080 -0.0704 -0.2462 0.166(9) Uiso 1 1 calc R . .
H04C H 0.1373 -0.0142 -0.1903 0.240(15) Uiso 1 1 calc R . .
C06 C 0.09677(15) 0.18856(13) -0.22983(10) 0.0788(6) Uani 1 1 d . . .
H06A H 0.1104(11) 0.1879(11) -0.2763(9) 0.067(4) Uiso 1 1 d . . .
C1A C 0.5015(6) 0.3291(8) -0.1855(3) 0.505(9) Uani 1 1 d D . .
H1AA H 0.4661 0.2549 -0.2275 0.758 Uiso 1 1 calc R . .
H1AB H 0.5922 0.3645 -0.1644 0.758 Uiso 1 1 calc R . .
H1AC H 0.4744 0.3749 -0.2188 0.758 Uiso 1 1 calc R . .
C2A C 0.4564(6) 0.3176(4) -0.0986(4) 0.619(7) Uani 1 1 d D . .
H2AA H 0.3655 0.2729 -0.1144 0.743 Uiso 1 1 calc R . .
H2AB H 0.5013 0.2946 -0.0503 0.743 Uiso 1 1 calc R . .
C3A C 0.5052(6) 0.4429(4) -0.0800(4) 0.523(8) Uani 1 1 d D . .
H3AA H 0.467(7) 0.447(7) -0.134(6) 0.627 Uiso 1 1 d . . .
H3AB H 0.607(7) 0.459(8) -0.065(7) 0.627 Uiso 1 1 d . . .
C4A C 0.4606(5) 0.4644(10) 0.0026(5) 0.601(7) Uani 1 1 d D . .
H4AA H 0.362(10) 0.397(12) -0.022(10) 0.901 Uiso 1 1 d . . .
H4AB H 0.501(12) 0.398(11) 0.063(11) 0.901 Uiso 1 1 d . . .
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
_geom_angle_publ_flag
O2 Cu1 O2 180.00(8) . 2 ?
O2 Cu1 O1 92.37(6) . . ?
O2 Cu1 O1 87.63(6) 2 . ?
O2 Cu1 O1 87.63(6) . 2 ?
O2 Cu1 O1 92.37(6) 2 2 ?
O1 Cu1 O1 180.00(8) . 2 ?
O2 Cu1 N3 91.90(5) . 2 ?
O2 Cu1 N3 88.10(5) 2 2 ?
O1 Cu1 N3 90.68(6) . 2 ?
O1 Cu1 N3 89.32(6) 2 2 ?
O2 Cu1 N3 88.10(5) . . ?
O2 Cu1 N3 91.90(5) 2 . ?
O1 Cu1 N3 89.32(6) . . ?
O1 Cu1 N3 90.68(6) 2 . ?
N3 Cu1 N3 180.00(6) 2 . ?
C2 O1 Cu1 123.37(13) . . ?
F3 C1 F2 114.2(2) . . ?
F3 C1 F1 102.2(2) . . ?
F2 C1 F1 102.0(2) . . ?
F3 C1 C2 114.78(19) . . ?
F2 C1 C2 113.7(2) . . ?
F1 C1 C2 108.2(2) . . ?
O1 C2 C3 128.4(2) . . ?
O1 C2 C1 112.29(16) . . ?
C3 C2 C1 119.35(15) . . ?
C2 C3 C4 123.04(15) . . ?
O2 C4 C3 128.06(16) . . ?
O2 C4 C5 114.1(2) . . ?
C3 C4 C5 117.82(16) . . ?
F5 C5 F4 108.3(2) . . ?
F5 C5 F6 109.9(2) . . ?
F4 C5 F6 94.9(3) . . ?
F5 C5 C4 118.0(3) . . ?
F4 C5 C4 113.3(2) . . ?
F6 C5 C4 110.00(18) . . ?
C4 O2 Cu1 124.60(13) . . ?
O5 Cu2 O01 88.69(5) . . ?
O5 Cu2 O6 91.95(5) . . ?
O01 Cu2 O6 179.04(5) . . ?
O5 Cu2 O4 159.48(6) . . ?
O01 Cu2 O4 88.46(5) . . ?
O6 Cu2 O4 90.68(6) . . ?
O5 Cu2 O3 111.41(6) . . ?
O01 Cu2 O3 86.71(6) . . ?
O6 Cu2 O3 93.72(6) . . ?
O4 Cu2 O3 88.70(6) . . ?
C7 O3 Cu2 119.85(13) . . ?
F8 C6 F7 107.1(2) . . ?
F8 C6 F9 107.1(3) . . ?
F7 C6 F9 103.8(2) . . ?
F8 C6 C7 116.2(2) . . ?
F7 C6 C7 111.4(2) . . ?
F9 C6 C7 110.4(2) . . ?
O3 C7 C8 129.2(2) . . ?
O3 C7 C6 112.88(18) . . ?
C8 C7 C6 117.96(19) . . ?
C9 C8 C7 123.63(19) . . ?
O4 C9 C8 128.76(16) . . ?
O4 C9 C10 112.42(19) . . ?
C8 C9 C10 118.82(18) . . ?
F10 C10 F12 106.7(2) . . ?
F10 C10 F11 103.1(2) . . ?
F12 C10 F11 102.04(19) . . ?
F10 C10 C9 115.89(15) . . ?
F12 C10 C9 112.2(2) . . ?
F11 C10 C9 115.5(2) . . ?
C9 O4 Cu2 124.80(13) . . ?
C12 O5 Cu2 125.06(12) . . ?
F15 C11 F13 119.3(3) . . ?
F15 C11 F14 95.2(3) . . ?
F13 C11 F14 93.7(4) . . ?
F15 C11 C12 118.8(2) . . ?
F13 C11 C12 116.5(2) . . ?
F14 C11 C12 104.5(3) . . ?
O5 C12 C13 127.90(19) . . ?
O5 C12 C11 113.40(16) . . ?
C13 C12 C11 118.54(16) . . ?
C14 C13 C12 122.16(16) . . ?
O6 C14 C13 127.07(15) . . ?
O6 C14 C15 115.44(17) . . ?
C13 C14 C15 117.47(15) . . ?
F16 C15 F18 108.8(2) . . ?
F16 C15 F17 106.72(18) . . ?
F18 C15 F17 102.96(19) . . ?
F16 C15 C14 113.05(18) . . ?
F18 C15 C14 113.64(15) . . ?
F17 C15 C14 110.99(19) . . ?
C14 O6 Cu2 125.34(12) . . ?
N1 O01 Cu2 119.47(10) . . ?
O01 N1 C03 124.93(15) . . ?
O01 N1 C01 121.97(14) . . ?
C03 N1 C01 112.41(15) . . ?
N1 C01 C011 109.47(14) . . ?
N1 C01 C012 105.24(19) . . ?
C011 C01 C012 109.17(18) . . ?
N1 C01 C02 101.04(15) . . ?
C011 C01 C02 115.2(2) . . ?
C012 C01 C02 115.84(16) . . ?
N2 C02 C021 108.68(17) . . ?
N2 C02 C01 100.36(18) . . ?
C021 C02 C01 115.71(18) . . ?
N2 C02 C022 104.83(16) . . ?
C021 C02 C022 111.4(2) . . ?
C01 C02 C022 114.49(16) . . ?
O02 N2 C03 124.71(17) . . ?
O02 N2 C02 123.10(18) . . ?
C03 N2 C02 111.82(15) . . ?
N1 C03 N2 108.36(16) . . ?
N1 C03 C04 126.55(17) . . ?
N2 C03 C04 125.09(16) . . ?
C06 C04 C05 103.92(16) . . ?
C06 C04 C03 128.73(16) . . ?
C05 C04 C03 127.34(17) . . ?
N3 C05 C04 111.98(17) . . ?
C05 N3 N4 104.95(14) . . ?
C05 N3 Cu1 119.92(12) . . ?
N4 N3 Cu1 135.12(11) . . ?
C06 N4 N3 110.48(15) . . ?
C06 N4 C041 128.79(16) . . ?
N3 N4 C041 120.71(15) . . ?
N4 C06 C04 108.66(15) . . ?
C2A C1A C3A 46.6(3) . . ?
C3A C2A C1A 85.0(5) . . ?
C4A C3A C2A 137.9(7) 2_665 . ?
C4A C3A C4A 42.1(6) 2_665 . ?
C2A C3A C4A 100.8(6) . . ?
C4A C3A C1A 166.3(6) 2_665 . ?
C2A C3A C1A 48.4(4) . . ?
C4A C3A C1A 148.7(6) . . ?
C4A C4A C3A 73.7(10) 2_665 2_665 ?
C4A C4A C3A 64.2(8) 2_665 . ?
C3A C4A C3A 137.9(6) 2_665 . ?
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 O2 1.9501(14) . ?
Cu1 O2 1.9501(14) 2 ?
Cu1 O1 1.9628(13) . ?
Cu1 O1 1.9628(13) 2 ?
Cu1 N3 2.4113(16) 2 ?
Cu1 N3 2.4113(16) . ?
O1 C2 1.2506(17) . ?
C1 F3 1.239(3) . ?
C1 F2 1.277(2) . ?
C1 F1 1.348(4) . ?
C1 C2 1.538(3) . ?
C2 C3 1.365(3) . ?
C3 C4 1.369(3) . ?
C4 O2 1.234(2) . ?
C4 C5 1.518(3) . ?
C5 F5 1.213(3) . ?
C5 F4 1.272(4) . ?
C5 F6 1.286(4) . ?
Cu2 O5 1.9036(14) . ?
Cu2 O01 1.9324(14) . ?
Cu2 O6 1.9515(14) . ?
Cu2 O4 1.9575(13) . ?
Cu2 O3 2.1774(17) . ?
O3 C7 1.222(2) . ?
C6 F8 1.242(3) . ?
C6 F7 1.286(3) . ?
C6 F9 1.291(3) . ?
C6 C7 1.557(4) . ?
C7 C8 1.390(3) . ?
C8 C9 1.368(3) . ?
C9 O4 1.246(2) . ?
C9 C10 1.512(3) . ?
C10 F10 1.206(3) . ?
C10 F12 1.220(3) . ?
C10 F11 1.278(3) . ?
O5 C12 1.2471(19) . ?
C11 F15 1.129(3) . ?
C11 F13 1.144(3) . ?
C11 F14 1.324(5) . ?
C11 C12 1.541(3) . ?
C12 C13 1.381(3) . ?
C13 C14 1.364(3) . ?
C14 O6 1.2323(19) . ?
C14 C15 1.518(2) . ?
C15 F16 1.281(2) . ?
C15 F18 1.301(3) . ?
C15 F17 1.303(3) . ?
O01 N1 1.301(2) . ?
N1 C03 1.328(2) . ?
N1 C01 1.500(2) . ?
C01 C011 1.532(3) . ?
C01 C012 1.538(3) . ?
C01 C02 1.540(3) . ?
C02 N2 1.496(3) . ?
C02 C021 1.534(3) . ?
C02 C022 1.545(3) . ?
N2 O02 1.265(2) . ?
N2 C03 1.353(3) . ?
C03 C04 1.433(3) . ?
C04 C06 1.358(3) . ?
C04 C05 1.398(2) . ?
C05 N3 1.311(2) . ?
N3 N4 1.365(2) . ?
N4 C06 1.333(2) . ?
N4 C041 1.450(3) . ?
C1A C2A 1.536(8) . ?
C1A C3A 2.046(10) . ?
C2A C3A 1.491(7) . ?
C3A C4A 1.427(12) 2_665 ?
C3A C4A 1.521(10) . ?
C4A C4A 1.062(16) 2_665 ?
C4A C3A 1.427(12) 2_665 ?
