#------------------------------------------------------------------------------
#$Date: 2023-12-08 16:16:31 +0200 (Fri, 08 Dec 2023) $
#$Revision: 288183 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/31/05/4310533.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_4310533
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            'C64 H52 Cu3 F36 N8 O16'
_chemical_formula_weight         2063.76
_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                95.69(3)
_cell_angle_beta                 105.77(3)
_cell_angle_gamma                114.51(3)
_cell_formula_units_Z            1
_cell_length_a                   12.397(3)
_cell_length_b                   13.742(3)
_cell_length_c                   14.988(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2169.4(12)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'teta\2teta scans'
_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  0.0271
_diffrn_reflns_av_sigmaI/netI    0.0377
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7903
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.88
_exptl_absorpt_coefficient_mu    0.868
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.3785
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    1.580
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1031
_refine_diff_density_max         0.657
_refine_diff_density_min         -0.454
_refine_diff_density_rms         0.069
_refine_ls_extinction_coef       0.0013(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     661
_refine_ls_number_reflns         7519
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0952
_refine_ls_R_factor_gt           0.0683
_refine_ls_shift/su_max          2.107
_refine_ls_shift/su_mean         0.038
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1183P)²+1.7219P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1875
_refine_ls_wR_factor_ref         0.2124
_reflns_number_gt                5266
_reflns_number_total             7519
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034964dsi20030813_090632_11.cif
_cod_data_source_block           bb
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

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        2169.4(7)
_cod_database_code               4310533
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 0.5000 0.0617(3) Uani 1 2 d S . .
O1 O -0.1400(3) 0.0339(3) 0.4931(2) 0.0686(8) Uani 1 1 d . . .
C1 C -0.3399(7) 0.0214(8) 0.4504(6) 0.112(2) Uani 1 1 d . . .
F1 F -0.3262(8) 0.1029(7) 0.4091(5) 0.207(3) Uani 1 1 d . . .
F2 F -0.3191(5) 0.0622(5) 0.5374(4) 0.157(2) Uani 1 1 d . . .
F3 F -0.4587(4) -0.0513(6) 0.4131(5) 0.185(3) Uani 1 1 d . . .
C2 C -0.2501(5) -0.0245(5) 0.4378(4) 0.0735(13) Uani 1 1 d . . .
C3 C -0.2956(6) -0.1200(6) 0.3702(5) 0.0938(19) Uani 1 1 d . . .
H3A H -0.372(6) -0.154(5) 0.343(4) 0.090(19) Uiso 1 1 d . . .
C4 C -0.2225(5) -0.1671(5) 0.3548(4) 0.0757(14) Uani 1 1 d . . .
C5 C -0.2863(9) -0.2744(9) 0.2804(7) 0.129(3) Uani 1 1 d . . .
F4 F -0.3955(6) -0.3169(7) 0.2401(7) 0.280(6) Uani 1 1 d . . .
F5 F -0.2589(10) -0.3458(7) 0.3087(8) 0.285(7) Uani 1 1 d . . .
F6 F -0.2346(13) -0.2670(8) 0.2192(7) 0.334(8) Uani 1 1 d . . .
O2 O -0.1082(3) -0.1330(3) 0.3955(2) 0.0706(8) Uani 1 1 d . . .
Cu2 Cu 0.01098(6) 0.30498(6) 0.06106(4) 0.0757(3) Uani 1 1 d . . .
O3 O 0.1198(3) 0.4069(3) 0.0036(3) 0.0832(10) Uani 1 1 d . . .
C6 C 0.3020(6) 0.5189(7) -0.0205(6) 0.112(3) Uani 1 1 d . . .
F7 F 0.3662(11) 0.5906(6) 0.0505(6) 0.296(7) Uani 1 1 d . . .
F8 F 0.2485(6) 0.5502(7) -0.0798(7) 0.282(6) Uani 1 1 d . . .
F9 F 0.3881(9) 0.5179(7) -0.0502(9) 0.259(5) Uani 1 1 d . . .
C7 C 0.2200(5) 0.4106(5) -0.0021(4) 0.0799(15) Uani 1 1 d . . .
C8 C 0.2608(7) 0.3320(7) 0.0067(5) 0.094(2) Uani 1 1 d . . .
H8A H 0.316(6) 0.333(5) -0.001(4) 0.08(2) Uiso 1 1 d . . .
C9 C 0.1912(7) 0.2297(6) 0.0231(4) 0.0899(17) Uani 1 1 d . . .
C10 C 0.2429(12) 0.1436(10) 0.0208(8) 0.136(3) Uani 1 1 d . . .
F10 F 0.1790(9) 0.0674(7) -0.0541(6) 0.232(4) Uani 1 1 d . . .
F11 F 0.3586(8) 0.1852(7) 0.0245(7) 0.227(4) Uani 1 1 d . . .
F12 F 0.2410(8) 0.1008(7) 0.0930(5) 0.210(3) Uani 1 1 d . . .
O4 O 0.0927(4) 0.1957(3) 0.0387(3) 0.0943(12) Uani 1 1 d . . .
O5 O -0.1252(4) 0.2362(3) -0.0626(3) 0.0881(11) Uani 1 1 d . . .
C11 C -0.3207(7) 0.1222(6) -0.1795(5) 0.0968(18) Uani 1 1 d . . .
F13 F -0.3894(6) 0.1702(6) -0.2024(4) 0.189(3) Uani 1 1 d . . .
F14 F -0.3928(6) 0.0181(4) -0.2001(3) 0.190(3) Uani 1 1 d . . .
F15 F -0.2623(5) 0.1398(5) -0.2400(3) 0.163(2) Uani 1 1 d . . .
C12 C -0.2353(5) 0.1692(4) -0.0762(4) 0.0774(14) Uani 1 1 d . . .
C13 C -0.2868(6) 0.1355(6) -0.0065(5) 0.0944(19) Uani 1 1 d . . .
H13A H -0.369(7) 0.092(6) -0.028(5) 0.12(2) Uiso 1 1 d . . .
C14 C -0.2189(5) 0.1767(5) 0.0885(4) 0.0867(16) Uani 1 1 d . . .
C15 C -0.2870(9) 0.1411(10) 0.1583(8) 0.148(4) Uani 1 1 d . . .
F16 F -0.3961(6) 0.0784(11) 0.1267(5) 0.344(8) Uani 1 1 d . . .
F17 F -0.2498(8) 0.2106(7) 0.2319(6) 0.239(5) Uani 1 1 d . . .
F18 F -0.2402(11) 0.0756(8) 0.2034(7) 0.257(5) Uani 1 1 d . . .
O6 O -0.1051(3) 0.2459(3) 0.1269(3) 0.0863(11) Uani 1 1 d . . .
O01 O 0.1461(3) 0.3764(3) 0.1834(3) 0.0781(10) Uani 1 1 d . . .
N1 N 0.1273(4) 0.4185(4) 0.2556(3) 0.0763(12) Uani 1 1 d . . .
C01 C 0.1499(6) 0.5360(5) 0.2760(5) 0.0927(18) Uani 1 1 d . . .
C011 C 0.0898(9) 0.5613(8) 0.1836(7) 0.106(2) Uani 1 1 d . . .
H01A H 0.127(5) 0.551(5) 0.142(4) 0.074(18) Uiso 1 1 d . . .
H01B H 0.105(7) 0.633(7) 0.204(5) 0.12(3) Uiso 1 1 d . . .
H01C H -0.011(8) 0.494(7) 0.147(6) 0.13(3) Uiso 1 1 d . . .
C012 C 0.2968(12) 0.6044(10) 0.3098(15) 0.145(5) Uani 1 1 d . . .
H01D H 0.299(14) 0.616(13) 0.281(11) 0.17(7) Uiso 1 1 d . . .
H01E H 0.317(9) 0.593(8) 0.362(7) 0.14(4) Uiso 1 1 d . . .
H01F H 0.315(9) 0.693(9) 0.325(7) 0.17(4) Uiso 1 1 d . . .
C02 C 0.0902(7) 0.5375(5) 0.3528(5) 0.100(2) Uani 1 1 d . . .
C021 C 0.1601(13) 0.6396(8) 0.4369(8) 0.155(5) Uani 1 1 d . . .
H02A H 0.190(10) 0.647(8) 0.511(8) 0.19(4) Uiso 1 1 d . . .
H02B H 0.186(10) 0.702(9) 0.422(7) 0.17(4) Uiso 1 1 d . . .
H02C H 0.274(9) 0.641(7) 0.452(6) 0.16(3) Uiso 1 1 d . . .
C022 C -0.0493(9) 0.5085(8) 0.3156(7) 0.114(2) Uani 1 1 d . . .
H02D H -0.085(7) 0.497(6) 0.379(6) 0.14(3) Uiso 1 1 d . . .
H02E H -0.090(7) 0.448(6) 0.263(5) 0.11(2) Uiso 1 1 d . . .
H02F H -0.053(7) 0.573(6) 0.292(5) 0.12(2) Uiso 1 1 d . . .
N2 N 0.0933(5) 0.4403(4) 0.3893(4) 0.0932(15) Uani 1 1 d . . .
O02 O 0.0796(6) 0.4233(4) 0.4675(3) 0.1245(18) Uani 1 1 d . . .
C03 C 0.1031(5) 0.3698(4) 0.3254(4) 0.0755(13) Uani 1 1 d . . .
C04 C 0.0890(5) 0.2629(4) 0.3336(3) 0.0706(13) Uani 1 1 d . . .
C05 C 0.0605(6) 0.2108(5) 0.4054(4) 0.0782(14) Uani 1 1 d . . .
H05A H 0.038(5) 0.231(4) 0.453(4) 0.079(16) Uiso 1 1 d . . .
N3 N 0.0536(5) 0.1117(4) 0.3908(3) 0.0810(12) Uani 1 1 d . . .
N4 N 0.0789(5) 0.1001(4) 0.3080(3) 0.0756(11) Uani 1 1 d . . .
C41 C 0.0808(13) -0.0006(8) 0.2706(7) 0.110(3) Uani 1 1 d . . .
H41A H 0.080(8) -0.008(7) 0.208(7) 0.14(3) Uiso 1 1 d . . .
H41B H -0.014(12) -0.069(10) 0.247(8) 0.21(5) Uiso 1 1 d . . .
H41C H 0.147(13) 0.006(12) 0.292(10) 0.23(7) Uiso 1 1 d . . .
C06 C 0.1010(6) 0.1891(5) 0.2737(4) 0.0760(14) Uani 1 1 d . . .
H06A H 0.110(5) 0.189(5) 0.221(4) 0.084(18) Uiso 1 1 d . . .
C1A C 0.5233(18) 0.7701(13) 0.6271(17) 0.220(9) Uani 1 1 d . . .
H1AA H 0.5196 0.8353 0.6201 0.21(5) Uiso 1 1 calc R . .
C2A C 0.5833(15) 0.730(2) 0.5762(17) 0.224(7) Uani 1 1 d . . .
H2AA H 0.6279 0.7700 0.5402 0.5(2) Uiso 1 1 calc R . .
C3A C 0.5704(13) 0.632(2) 0.585(2) 0.245(11) Uani 1 1 d . . .
H3AA H 0.5974 0.5947 0.5479 0.31(11) Uiso 1 1 calc R . .
C4A C 0.522(4) 0.591(3) 0.642(3) 0.35(2) Uani 1 1 d . . .
H4AA H 0.5016 0.5166 0.6334 2.0(18) Uiso 1 1 calc R . .
C5A C 0.490(4) 0.625(3) 0.714(2) 0.40(3) Uani 1 1 d . . .
H5A H 0.4805 0.5982 0.7678 0.30(11) Uiso 1 1 calc R . .
C6A C 0.475(3) 0.717(3) 0.6824(16) 0.322(18) Uani 1 1 d . . .
H6AA H 0.4234 0.7390 0.7051 0.19(5) 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 180.000(1) 2_556 . ?
O1 Cu1 O2 92.09(14) 2_556 2_556 ?
O1 Cu1 O2 87.91(14) . 2_556 ?
O1 Cu1 O2 87.91(14) 2_556 . ?
O1 Cu1 O2 92.09(14) . . ?
O2 Cu1 O2 180.000(1) 2_556 . ?
O1 Cu1 N3 90.52(15) 2_556 . ?
O1 Cu1 N3 89.48(15) . . ?
O2 Cu1 N3 88.20(16) 2_556 . ?
O2 Cu1 N3 91.80(16) . . ?
O1 Cu1 N3 89.48(15) 2_556 2_556 ?
O1 Cu1 N3 90.52(15) . 2_556 ?
O2 Cu1 N3 91.80(16) 2_556 2_556 ?
O2 Cu1 N3 88.20(16) . 2_556 ?
N3 Cu1 N3 180.000(1) . 2_556 ?
C2 O1 Cu1 124.3(3) . . ?
F2 C1 F3 107.4(7) . . ?
F2 C1 F1 104.6(8) . . ?
F3 C1 F1 106.7(7) . . ?
F2 C1 C2 114.0(6) . . ?
F3 C1 C2 113.2(7) . . ?
F1 C1 C2 110.4(7) . . ?
O1 C2 C3 127.7(5) . . ?
O1 C2 C1 112.6(5) . . ?
C3 C2 C1 119.7(5) . . ?
C2 C3 C4 123.5(6) . . ?
O2 C4 C3 127.8(5) . . ?
O2 C4 C5 114.5(6) . . ?
C3 C4 C5 117.7(6) . . ?
F4 C5 F5 107.4(11) . . ?
F4 C5 F6 107.6(11) . . ?
F5 C5 F6 94.0(11) . . ?
F4 C5 C4 120.4(8) . . ?
F5 C5 C4 113.3(9) . . ?
F6 C5 C4 110.8(9) . . ?
C4 O2 Cu1 124.5(3) . . ?
O6 Cu2 O01 88.87(16) . . ?
O6 Cu2 O5 91.44(16) . . ?
O01 Cu2 O5 178.70(17) . . ?
O6 Cu2 O3 161.11(19) . . ?
O01 Cu2 O3 88.79(16) . . ?
O5 Cu2 O3 90.51(16) . . ?
O6 Cu2 O4 109.74(18) . . ?
O01 Cu2 O4 87.36(17) . . ?
O5 Cu2 O4 93.72(18) . . ?
O3 Cu2 O4 88.87(17) . . ?
C7 O3 Cu2 125.3(4) . . ?
F8 C6 F7 110.5(11) . . ?
F8 C6 F9 102.2(9) . . ?
F7 C6 F9 99.0(8) . . ?
F8 C6 C7 115.7(6) . . ?
F7 C6 C7 113.1(7) . . ?
F9 C6 C7 114.7(8) . . ?
O3 C7 C8 128.3(6) . . ?
O3 C7 C6 111.8(6) . . ?
C8 C7 C6 119.8(6) . . ?
C7 C8 C9 123.7(6) . . ?
O4 C9 C8 129.1(6) . . ?
O4 C9 C10 112.9(7) . . ?
C8 C9 C10 118.0(7) . . ?
F10 C10 F11 106.8(9) . . ?
F10 C10 F12 108.4(11) . . ?
F11 C10 F12 105.3(10) . . ?
F10 C10 C9 111.3(9) . . ?
F11 C10 C9 113.5(10) . . ?
F12 C10 C9 111.1(7) . . ?
C9 O4 Cu2 120.4(4) . . ?
C12 O5 Cu2 125.7(4) . . ?
F13 C11 F14 108.6(7) . . ?
F13 C11 F15 101.7(7) . . ?
F14 C11 F15 106.7(7) . . ?
F13 C11 C12 111.0(6) . . ?
F14 C11 C12 113.7(6) . . ?
F15 C11 C12 114.4(6) . . ?
O5 C12 C13 126.4(5) . . ?
O5 C12 C11 115.4(5) . . ?
C13 C12 C11 118.2(5) . . ?
C14 C13 C12 122.5(6) . . ?
O6 C14 C13 127.6(5) . . ?
O6 C14 C15 114.2(6) . . ?
C13 C14 C15 118.1(6) . . ?
F16 C15 F17 117.4(12) . . ?
F16 C15 F18 100.1(12) . . ?
F17 C15 F18 94.3(10) . . ?
F16 C15 C14 117.7(9) . . ?
F17 C15 C14 115.8(8) . . ?
F18 C15 C14 105.8(10) . . ?
C14 O6 Cu2 125.5(4) . . ?
N1 O01 Cu2 120.3(3) . . ?
O01 N1 C03 124.8(5) . . ?
O01 N1 C01 122.1(4) . . ?
C03 N1 C01 112.6(5) . . ?
N1 C01 C011 109.4(6) . . ?
N1 C01 C02 101.5(5) . . ?
C011 C01 C02 115.4(6) . . ?
N1 C01 C012 103.6(7) . . ?
C011 C01 C012 109.7(8) . . ?
C02 C01 C012 116.0(10) . . ?
N2 C02 C022 104.7(6) . . ?
N2 C02 C01 100.3(5) . . ?
C022 C02 C01 115.3(6) . . ?
N2 C02 C021 108.9(6) . . ?
C022 C02 C021 108.9(8) . . ?
C01 C02 C021 117.4(8) . . ?
O02 N2 C03 124.4(5) . . ?
O02 N2 C02 123.1(5) . . ?
C03 N2 C02 112.3(5) . . ?
N1 C03 N2 107.8(5) . . ?
N1 C03 C04 127.4(5) . . ?
N2 C03 C04 124.9(5) . . ?
C06 C04 C05 104.7(5) . . ?
C06 C04 C03 128.0(5) . . ?
C05 C04 C03 127.3(5) . . ?
N3 C05 C04 111.6(5) . . ?
C05 N3 N4 104.5(4) . . ?
C05 N3 Cu1 119.2(4) . . ?
N4 N3 Cu1 136.3(3) . . ?
C06 N4 N3 111.6(4) . . ?
C06 N4 C41 128.9(5) . . ?
N3 N4 C41 119.5(5) . . ?
N4 C06 C04 107.7(5) . . ?
C6A C1A C2A 120(2) . . ?
C3A C2A C1A 114(2) . . ?
C4A C3A C2A 119(3) . . ?
C3A C4A C5A 137(3) . . ?
C6A C5A C4A 98(3) . . ?
C1A C6A C5A 127(3) . . ?
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 1.954(3) 2_556 ?
Cu1 O1 1.954(3) . ?
Cu1 O2 1.962(3) 2_556 ?
Cu1 O2 1.962(3) . ?
Cu1 N3 2.392(4) . ?
Cu1 N3 2.392(4) 2_556 ?
O1 C2 1.241(6) . ?
C1 F2 1.278(8) . ?
C1 F3 1.304(9) . ?
C1 F1 1.306(10) . ?
C1 C2 1.531(9) . ?
C2 C3 1.370(8) . ?
C3 C4 1.366(8) . ?
C4 O2 1.233(6) . ?
C4 C5 1.507(9) . ?
C5 F4 1.170(10) . ?
C5 F5 1.241(13) . ?
C5 F6 1.243(12) . ?
Cu2 O6 1.915(4) . ?
Cu2 O01 1.934(4) . ?
Cu2 O5 1.951(4) . ?
Cu2 O3 1.957(3) . ?
Cu2 O4 2.178(5) . ?
O3 C7 1.248(6) . ?
C6 F8 1.186(8) . ?
C6 F7 1.191(10) . ?
C6 F9 1.268(10) . ?
C6 C7 1.517(9) . ?
C7 C8 1.373(10) . ?
C8 C9 1.398(10) . ?
C9 O4 1.212(7) . ?
C9 C10 1.564(11) . ?
C10 F10 1.256(12) . ?
C10 F11 1.288(12) . ?
C10 F12 1.284(11) . ?
O5 C12 1.233(6) . ?
C11 F13 1.276(8) . ?
C11 F14 1.281(8) . ?
C11 F15 1.289(8) . ?
C11 C12 1.510(8) . ?
C12 C13 1.388(8) . ?
C13 C14 1.360(9) . ?
C14 O6 1.250(7) . ?
C14 C15 1.513(10) . ?
C15 F16 1.183(10) . ?
C15 F17 1.220(11) . ?
C15 F18 1.395(15) . ?
O01 N1 1.298(6) . ?
N1 C03 1.332(7) . ?
N1 C01 1.503(7) . ?
C01 C011 1.530(9) . ?
C01 C02 1.531(10) . ?
C01 C012 1.562(14) . ?
C02 N2 1.503(7) . ?
C02 C022 1.523(11) . ?
C02 C021 1.535(11) . ?
N2 O02 1.261(6) . ?
N2 C03 1.359(7) . ?
C03 C04 1.429(7) . ?
C04 C06 1.369(8) . ?
C04 C05 1.395(7) . ?
C05 N3 1.321(7) . ?
N3 N4 1.370(6) . ?
N4 C06 1.326(7) . ?
N4 C41 1.453(9) . ?
C1A C6A 1.27(3) . ?
C1A C2A 1.41(2) . ?
C2A C3A 1.31(2) . ?
C3A C4A 1.24(3) . ?
C4A C5A 1.36(5) . ?
C5A C6A 1.46(4) . ?
