#------------------------------------------------------------------------------
#$Date: 2023-12-08 16:16:31 +0200 (Fri, 08 Dec 2023) $
#$Revision: 288183 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/31/05/4310534.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_4310534
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            'C66 H56 Cu3 F36 N8 O16'
_chemical_formula_weight         2091.81
_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                95.20(3)
_cell_angle_beta                 106.85(3)
_cell_angle_gamma                113.14(3)
_cell_formula_units_Z            1
_cell_length_a                   12.383(3)
_cell_length_b                   13.824(3)
_cell_length_c                   15.057(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2206.3(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 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0217
_diffrn_reflns_av_sigmaI/netI    0.0389
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8097
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.90
_exptl_absorpt_coefficient_mu    0.855
_exptl_crystal_density_diffrn    1.574
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1047
_refine_diff_density_max         0.635
_refine_diff_density_min         -0.410
_refine_diff_density_rms         0.063
_refine_ls_extinction_coef       0.0000(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     672
_refine_ls_number_reflns         7707
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.1021
_refine_ls_R_factor_gt           0.0694
_refine_ls_shift/su_max          1.740
_refine_ls_shift/su_mean         0.112
_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          0.1941
_refine_ls_wR_factor_ref         0.2234
_reflns_number_gt                5111
_reflns_number_total             7707
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034964dsi20030813_090632_12.cif
_cod_data_source_block           qq
_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        2206.3(8)
_cod_database_code               4310534
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 0.0661(3) Uani 1 2 d S . .
O1 O 0.1361(3) -0.0409(3) 0.0065(2) 0.0723(9) Uani 1 1 d . . .
C1 C 0.3306(7) -0.0416(7) 0.0534(6) 0.105(2) Uani 1 1 d . . .
F1 F 0.3098(8) -0.1250(6) 0.0915(5) 0.197(3) Uani 1 1 d . . .
F2 F 0.4495(5) 0.0243(6) 0.0935(5) 0.186(3) Uani 1 1 d . . .
F3 F 0.3125(5) -0.0771(5) -0.0340(4) 0.1454(18) Uani 1 1 d . . .
C2 C 0.2441(5) 0.0093(5) 0.0652(4) 0.0738(13) Uani 1 1 d . . .
C3 C 0.2916(8) 0.1011(7) 0.1347(5) 0.098(2) Uani 1 1 d . . .
H3A H 0.350(6) 0.124(6) 0.162(5) 0.09(2) Uiso 1 1 d . . .
C4 C 0.2226(6) 0.1547(5) 0.1488(4) 0.0788(15) Uani 1 1 d . . .
C5 C 0.2970(14) 0.2643(13) 0.2202(8) 0.181(6) Uani 1 1 d . . .
F4 F 0.2548(13) 0.3250(8) 0.2064(11) 0.344(10) Uani 1 1 d . . .
F5 F 0.3960(7) 0.2949(9) 0.2650(10) 0.335(9) Uani 1 1 d . . .
F6 F 0.2472(17) 0.2476(11) 0.2867(9) 0.383(11) Uani 1 1 d . . .
O2 O 0.1099(4) 0.1280(3) 0.1051(2) 0.0762(9) Uani 1 1 d . . .
Cu2 Cu 0.00934(6) 0.30520(6) -0.43641(5) 0.0801(3) Uani 1 1 d . . .
O3 O 0.0879(5) 0.1933(4) -0.4588(3) 0.1024(13) Uani 1 1 d . . .
C6 C 0.2345(13) 0.1357(10) -0.4793(8) 0.139(3) Uani 1 1 d . . .
F7 F 0.2374(9) 0.0961(7) -0.4057(5) 0.229(4) Uani 1 1 d . . .
F8 F 0.3456(8) 0.1711(7) -0.4802(7) 0.223(4) Uani 1 1 d . . .
F9 F 0.1641(9) 0.0589(7) -0.5541(6) 0.228(4) Uani 1 1 d . . .
C7 C 0.1851(7) 0.2226(6) -0.4762(4) 0.0936(18) Uani 1 1 d . . .
C8 C 0.2510(9) 0.3223(8) -0.4937(6) 0.105(3) Uani 1 1 d . . .
H8A H 0.297(7) 0.323(6) -0.505(5) 0.09(3) Uiso 1 1 d . . .
C9 C 0.2141(6) 0.4025(6) -0.5014(4) 0.0862(17) Uani 1 1 d . . .
C10 C 0.2951(7) 0.5094(9) -0.5188(6) 0.129(3) Uani 1 1 d . . .
F10 F 0.2419(6) 0.5430(8) -0.5762(8) 0.300(7) Uani 1 1 d . . .
F11 F 0.3759(10) 0.5013(8) -0.5539(9) 0.271(5) Uani 1 1 d . . .
F12 F 0.3645(11) 0.5740(7) -0.4489(6) 0.307(7) Uani 1 1 d . . .
O4 O 0.1165(4) 0.4037(3) -0.4926(3) 0.0893(11) Uani 1 1 d . . .
O5 O -0.1055(4) 0.2474(4) -0.3717(3) 0.0911(12) Uani 1 1 d . . .
C11 C -0.2832(9) 0.1412(11) -0.3406(8) 0.142(4) Uani 1 1 d . . .
F13 F -0.3964(6) 0.0863(10) -0.3748(5) 0.309(7) Uani 1 1 d . . .
F14 F -0.2377(10) 0.0801(7) -0.2960(7) 0.234(4) Uani 1 1 d . . .
F15 F -0.2506(8) 0.2136(7) -0.2695(6) 0.228(4) Uani 1 1 d . . .
C12 C -0.2187(6) 0.1794(5) -0.4114(5) 0.0911(17) Uani 1 1 d . . .
C13 C -0.2866(7) 0.1397(6) -0.5060(5) 0.097(2) Uani 1 1 d . . .
H13A H -0.362(6) 0.091(5) -0.528(4) 0.080(17) Uiso 1 1 d . . .
C14 C -0.2362(6) 0.1739(4) -0.5752(4) 0.0816(15) Uani 1 1 d . . .
C15 C -0.3198(8) 0.1295(6) -0.6778(5) 0.108(2) Uani 1 1 d . . .
F16 F -0.3936(7) 0.0305(4) -0.6987(4) 0.224(4) Uani 1 1 d . . .
F17 F -0.3813(7) 0.1812(6) -0.7059(4) 0.200(3) Uani 1 1 d . . .
F18 F -0.2612(6) 0.1404(6) -0.7373(4) 0.191(3) Uani 1 1 d . . .
O6 O -0.1272(4) 0.2403(4) -0.5612(3) 0.0905(12) Uani 1 1 d . . .
O01 O 0.1451(3) 0.3724(3) -0.3142(3) 0.0837(11) Uani 1 1 d . . .
N1 N 0.1264(4) 0.4148(4) -0.2421(3) 0.0812(13) Uani 1 1 d . . .
C01 C 0.1499(7) 0.5315(5) -0.2215(5) 0.100(2) Uani 1 1 d . . .
C011 C 0.0877(10) 0.5571(9) -0.3144(7) 0.112(3) Uani 1 1 d . . .
H01A H -0.004(7) 0.503(6) -0.345(5) 0.11(2) Uiso 1 1 d . . .
H01B H 0.124(7) 0.552(6) -0.357(6) 0.12(3) Uiso 1 1 d . . .
H01C H 0.104(8) 0.622(7) -0.295(6) 0.12(3) Uiso 1 1 d . . .
C012 C 0.2943(10) 0.5974(9) -0.1870(11) 0.142(5) Uani 1 1 d . . .
H01D H 0.323(6) 0.582(5) -0.136(5) 0.09(2) Uiso 1 1 d . . .
H01E H 0.301(8) 0.678(7) -0.179(6) 0.14(3) Uiso 1 1 d . . .
H01F H 0.301(7) 0.592(6) -0.237(5) 0.09(3) Uiso 1 1 d . . .
C02 C 0.0936(8) 0.5341(5) -0.1453(5) 0.104(2) Uani 1 1 d . . .
C021 C 0.1633(19) 0.6329(9) -0.0610(10) 0.178(7) Uani 1 1 d . . .
H02A H 0.276(9) 0.628(7) -0.038(7) 0.16(3) Uiso 1 1 d . . .
H02B H 0.156(8) 0.637(7) -0.010(6) 0.12(3) Uiso 1 1 d . . .
H02C H 0.180(12) 0.683(10) -0.078(9) 0.20(6) Uiso 1 1 d . . .
C022 C -0.0490(11) 0.5071(9) -0.1832(7) 0.123(3) Uani 1 1 d . . .
H02D H -0.099(9) 0.442(8) -0.259(8) 0.18(4) Uiso 1 1 d . . .
H02E H -0.055(8) 0.555(7) -0.205(6) 0.13(3) Uiso 1 1 d . . .
H02F H -0.080(10) 0.487(8) -0.124(8) 0.19(4) Uiso 1 1 d . . .
N2 N 0.0944(6) 0.4364(4) -0.1093(4) 0.0966(16) Uani 1 1 d . . .
O02 O 0.0804(7) 0.4199(4) -0.0305(4) 0.137(2) Uani 1 1 d . . .
C03 C 0.1032(6) 0.3665(5) -0.1725(4) 0.0808(15) Uani 1 1 d . . .
C04 C 0.0890(5) 0.2607(4) -0.1647(4) 0.0746(14) Uani 1 1 d . . .
C05 C 0.0587(6) 0.2079(5) -0.0951(5) 0.0817(16) Uani 1 1 d . . .
H05A H 0.043(5) 0.234(4) -0.052(4) 0.065(16) Uiso 1 1 d . . .
N3 N 0.0532(5) 0.1111(4) -0.1089(3) 0.0822(13) Uani 1 1 d . . .
N4 N 0.0784(5) 0.0990(4) -0.1897(3) 0.0784(12) Uani 1 1 d . . .
C041 C 0.0828(11) 0.0007(7) -0.2264(7) 0.107(3) Uani 1 1 d . . .
H04A H 0.097(11) -0.005(9) -0.272(8) 0.17(4) Uiso 1 1 d . . .
H04B H -0.019(11) -0.062(9) -0.279(8) 0.19(4) Uiso 1 1 d . . .
H04C H 0.143(9) -0.019(8) -0.186(7) 0.15(4) Uiso 1 1 d . . .
C06 C 0.1004(6) 0.1872(5) -0.2234(4) 0.0802(16) Uani 1 1 d . . .
H06A H 0.121(5) 0.194(5) -0.276(4) 0.087(17) Uiso 1 1 d . . .
C1A C 0.553(3) 0.389(2) -0.2508(18) 0.291(11) Uani 1 1 d . . .
H1AA H 0.5829 0.3441 -0.2790 0.34(14) Uiso 1 1 calc R . .
H1AB H 0.6205 0.4592 -0.2201 0.39(17) Uiso 1 1 calc R . .
H1AC H 0.4872 0.3945 -0.2996 0.6(3) Uiso 1 1 calc R . .
C2A C 0.5040(14) 0.3403(12) -0.1813(11) 0.191(6) Uani 1 1 d . . .
C3A C 0.4941(14) 0.2436(12) -0.1701(14) 0.179(5) Uani 1 1 d . . .
H3AA H 0.5203 0.2062 -0.2071 0.42(17) Uiso 1 1 calc R . .
C4A C 0.4463(16) 0.1983(15) -0.1057(16) 0.200(6) Uani 1 1 d . . .
H4AA H 0.4426 0.1314 -0.0973 2.0(16) Uiso 1 1 calc R . .
C5A C 0.4019(15) 0.252(3) -0.0509(18) 0.228(11) Uani 1 1 d . . .
H5AA H 0.3657 0.2209 -0.0084 0.27(9) Uiso 1 1 calc R . .
C6A C 0.4142(15) 0.350(3) -0.0630(17) 0.232(9) Uani 1 1 d . . .
H6AA H 0.3914 0.3888 -0.0245 0.6(3) Uiso 1 1 calc R . .
C7A C 0.4595(14) 0.3960(12) -0.1309(16) 0.203(7) Uani 1 1 d . . .
H7AA H 0.4602 0.4612 -0.1420 0.19(4) Uiso 1 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 0.0000 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
O1 Cu1 O1 180.00(18) . 2 ?
O1 Cu1 O2 92.49(15) . . ?
O1 Cu1 O2 87.51(15) 2 . ?
O1 Cu1 O2 87.51(15) . 2 ?
O1 Cu1 O2 92.49(15) 2 2 ?
O2 Cu1 O2 180.0(3) . 2 ?
O1 Cu1 N3 91.28(16) . . ?
O1 Cu1 N3 88.72(16) 2 . ?
O2 Cu1 N3 88.44(16) . . ?
O2 Cu1 N3 91.56(16) 2 . ?
O1 Cu1 N3 88.72(16) . 2 ?
O1 Cu1 N3 91.28(16) 2 2 ?
O2 Cu1 N3 91.56(16) . 2 ?
O2 Cu1 N3 88.44(16) 2 2 ?
N3 Cu1 N3 180.0(2) . 2 ?
C2 O1 Cu1 124.1(4) . . ?
F3 C1 F2 106.3(7) . . ?
F3 C1 F1 105.8(7) . . ?
F2 C1 F1 107.5(7) . . ?
F3 C1 C2 113.6(6) . . ?
F2 C1 C2 113.5(7) . . ?
F1 C1 C2 109.7(7) . . ?
O1 C2 C3 128.1(6) . . ?
O1 C2 C1 112.6(5) . . ?
C3 C2 C1 119.3(6) . . ?
C2 C3 C4 123.6(7) . . ?
O2 C4 C3 127.4(6) . . ?
O2 C4 C5 116.6(7) . . ?
C3 C4 C5 115.7(7) . . ?
F5 C5 F4 118.9(17) . . ?
F5 C5 F6 99.0(14) . . ?
F4 C5 F6 85.9(13) . . ?
F5 C5 C4 123.1(11) . . ?
F4 C5 C4 114.8(10) . . ?
F6 C5 C4 102.1(14) . . ?
C5 F4 F6 51.0(11) . . ?
C5 F6 F4 43.1(7) . . ?
C4 O2 Cu1 124.2(4) . . ?
O5 Cu2 O01 89.33(17) . . ?
O5 Cu2 O4 161.6(2) . . ?
O01 Cu2 O4 88.43(16) . . ?
O5 Cu2 O6 91.47(17) . . ?
O01 Cu2 O6 178.68(16) . . ?
O4 Cu2 O6 90.48(17) . . ?
O5 Cu2 O3 108.76(19) . . ?
O01 Cu2 O3 87.60(19) . . ?
O4 Cu2 O3 89.34(18) . . ?
O6 Cu2 O3 93.13(19) . . ?
C7 O3 Cu2 121.1(5) . . ?
F8 C6 F7 105.6(10) . . ?
F8 C6 F9 106.6(10) . . ?
F7 C6 F9 108.8(12) . . ?
F8 C6 C7 114.2(10) . . ?
F7 C6 C7 110.7(8) . . ?
F9 C6 C7 110.6(9) . . ?
O3 C7 C8 126.9(7) . . ?
O3 C7 C6 113.8(8) . . ?
C8 C7 C6 119.2(8) . . ?
C9 C8 C7 126.0(8) . . ?
O4 C9 C8 127.8(7) . . ?
O4 C9 C10 110.5(7) . . ?
C8 C9 C10 121.6(7) . . ?
F12 C10 F10 113.6(14) . . ?
F12 C10 F11 98.8(9) . . ?
F10 C10 F11 101.4(9) . . ?
F12 C10 C9 113.2(7) . . ?
F10 C10 C9 115.9(7) . . ?
F11 C10 C9 111.9(10) . . ?
C9 O4 Cu2 125.4(4) . . ?
C12 O5 Cu2 125.1(4) . . ?
F13 C11 F15 113.0(12) . . ?
F13 C11 F14 105.5(11) . . ?
F15 C11 F14 97.7(10) . . ?
F13 C11 C12 115.7(9) . . ?
F15 C11 C12 113.9(9) . . ?
F14 C11 C12 109.1(10) . . ?
O5 C12 C13 128.4(6) . . ?
O5 C12 C11 113.0(6) . . ?
C13 C12 C11 118.6(7) . . ?
C12 C13 C14 122.2(6) . . ?
O6 C14 C13 126.6(6) . . ?
O6 C14 C15 114.9(6) . . ?
C13 C14 C15 118.5(6) . . ?
F16 C15 F17 109.2(8) . . ?
F16 C15 F18 105.0(8) . . ?
F17 C15 F18 99.6(7) . . ?
F16 C15 C14 114.6(6) . . ?
F17 C15 C14 112.6(7) . . ?
F18 C15 C14 114.6(7) . . ?
C14 O6 Cu2 125.2(4) . . ?
N1 O01 Cu2 119.7(3) . . ?
O01 N1 C03 124.5(5) . . ?
O01 N1 C01 122.2(5) . . ?
C03 N1 C01 112.6(5) . . ?
C02 C01 N1 101.4(5) . . ?
C02 C01 C012 114.8(8) . . ?
N1 C01 C012 105.1(7) . . ?
C02 C01 C011 115.7(7) . . ?
N1 C01 C011 108.7(7) . . ?
C012 C01 C011 110.0(7) . . ?
C01 C02 N2 101.2(6) . . ?
C01 C02 C021 118.1(10) . . ?
N2 C02 C021 108.9(7) . . ?
C01 C02 C022 115.0(6) . . ?
N2 C02 C022 103.0(6) . . ?
C021 C02 C022 109.0(11) . . ?
O02 N2 C03 124.8(5) . . ?
O02 N2 C02 122.9(6) . . ?
C03 N2 C02 112.2(5) . . ?
N1 C03 N2 107.5(5) . . ?
N1 C03 C04 127.2(6) . . ?
N2 C03 C04 125.3(5) . . ?
C06 C04 C05 103.7(5) . . ?
C06 C04 C03 128.7(5) . . ?
C05 C04 C03 127.6(6) . . ?
N3 C05 C04 112.0(6) . . ?
C05 N3 N4 105.1(4) . . ?
C05 N3 Cu1 119.2(4) . . ?
N4 N3 Cu1 135.6(3) . . ?
C06 N4 N3 110.8(5) . . ?
C06 N4 C041 128.6(6) . . ?
N3 N4 C041 120.6(5) . . ?
N4 C06 C04 108.4(5) . . ?
C3A C2A C7A 121.0(18) . . ?
C3A C2A C1A 121(2) . . ?
C7A C2A C1A 117(2) . . ?
C2A C3A C4A 121(2) . . ?
C3A C4A C5A 120(2) . . ?
C6A C5A C4A 117(2) . . ?
C5A C6A C7A 123(3) . . ?
C2A C7A C6A 117(2) . . ?
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 O1 1.957(3) . ?
Cu1 O1 1.957(3) 2 ?
Cu1 O2 1.959(4) . ?
Cu1 O2 1.959(4) 2 ?
Cu1 N3 2.402(4) . ?
Cu1 N3 2.402(4) 2 ?
O1 C2 1.235(6) . ?
C1 F3 1.284(8) . ?
C1 F2 1.301(8) . ?
C1 F1 1.302(10) . ?
C1 C2 1.534(9) . ?
C2 C3 1.367(9) . ?
C3 C4 1.377(10) . ?
C4 O2 1.239(7) . ?
C4 C5 1.529(13) . ?
C5 F5 1.095(12) . ?
C5 F4 1.154(13) . ?
C5 F6 1.313(17) . ?
F4 F6 1.684(17) . ?
Cu2 O5 1.913(4) . ?
Cu2 O01 1.936(4) . ?
Cu2 O4 1.942(4) . ?
Cu2 O6 1.963(4) . ?
Cu2 O3 2.175(5) . ?
O3 C7 1.224(8) . ?
C6 F8 1.272(13) . ?
C6 F7 1.276(11) . ?
C6 F9 1.282(12) . ?
C6 C7 1.551(12) . ?
C7 C8 1.393(11) . ?
C8 C9 1.356(11) . ?
C9 O4 1.260(7) . ?
C9 C10 1.522(10) . ?
C10 F12 1.160(10) . ?
C10 F10 1.174(9) . ?
C10 F11 1.296(11) . ?
O5 C12 1.258(7) . ?
C11 F13 1.217(11) . ?
C11 F15 1.244(12) . ?
C11 F14 1.320(14) . ?
C11 C12 1.524(10) . ?
C12 C13 1.355(9) . ?
C13 C14 1.390(9) . ?
C14 O6 1.239(7) . ?
C14 C15 1.496(9) . ?
C15 F16 1.256(8) . ?
C15 F17 1.252(9) . ?
C15 F18 1.292(9) . ?
O01 N1 1.308(6) . ?
N1 C03 1.334(7) . ?
N1 C01 1.507(8) . ?
C01 C02 1.509(11) . ?
C01 C012 1.547(13) . ?
C01 C011 1.535(9) . ?
C02 N2 1.503(8) . ?
C02 C021 1.532(12) . ?
C02 C022 1.562(13) . ?
N2 O02 1.275(7) . ?
N2 C03 1.352(8) . ?
C03 C04 1.422(8) . ?
C04 C06 1.363(8) . ?
C04 C05 1.388(7) . ?
C05 N3 1.306(7) . ?
N3 N4 1.353(6) . ?
N4 C06 1.323(7) . ?
N4 C041 1.446(9) . ?
C1A C2A 1.442(18) . ?
C2A C3A 1.325(17) . ?
C2A C7A 1.39(2) . ?
C3A C4A 1.35(2) . ?
C4A C5A 1.42(3) . ?
C5A C6A 1.33(3) . ?
C6A C7A 1.39(2) . ?
