#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:48:37 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179425 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/22/4332224.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4332224
loop_
_publ_author_name
'Tretyakov, Eugene'
'Fokin, Sergei'
'Romanenko, Galina'
'Ikorskii, Vladimir'
'Vasilevsky, Sergei'
'Ovcharenko, Victor'
_publ_section_title
;
 2D and 3D Cu(hfac)2Complexes with Nitronyl Nitroxide Biradicals
;
_journal_issue                   9
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3671
_journal_page_last               3678
_journal_paper_doi               10.1021/ic060132e
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C48 H48 Cu2 F24 N8 O12'
_chemical_formula_weight         1512.02
_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_method           SHELXL-97
_cell_angle_alpha                94.706(5)
_cell_angle_beta                 111.839(5)
_cell_angle_gamma                103.492(5)
_cell_formula_units_Z            1
_cell_length_a                   11.314(3)
_cell_length_b                   11.817(3)
_cell_length_c                   13.746(4)
_cell_measurement_reflns_used    1711
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      23.21
_cell_measurement_theta_min      2.19
_cell_volume                     1629.6(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      295(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0743
_diffrn_reflns_av_sigmaI/netI    0.0921
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7096
_diffrn_reflns_theta_full        23.25
_diffrn_reflns_theta_max         23.25
_diffrn_reflns_theta_min         2.02
_exptl_absorpt_coefficient_mu    0.781
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             762
_refine_diff_density_max         0.554
_refine_diff_density_min         -0.294
_refine_diff_density_rms         0.071
_refine_ls_extinction_coef       0.0000(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.958
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     528
_refine_ls_number_reflns         4647
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.958
_refine_ls_R_factor_all          0.0923
_refine_ls_R_factor_gt           0.0615
_refine_ls_shift/su_max          5.662
_refine_ls_shift/su_mean         0.028
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0850P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1496
_refine_ls_wR_factor_ref         0.1647
_reflns_number_gt                3007
_reflns_number_total             4647
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic060132esup1.cif
_cod_data_source_block           3_295
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        1629.5(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4332224
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
Cu1 Cu 0.5000 0.5000 1.0000 0.0702(4) Uani 1 2 d S
O1 O 0.4034(4) 0.5340(4) 1.0847(3) 0.0807(12) Uani 1 1 d .
C1 C 0.2386(9) 0.5852(12) 1.1266(9) 0.140(4) Uani 1 1 d .
F1 F 0.1264(6) 0.6031(9) 1.0873(5) 0.252(5) Uani 1 1 d .
F2 F 0.3170(5) 0.6803(6) 1.1847(5) 0.187(3) Uani 1 1 d .
F3 F 0.2358(12) 0.5134(8) 1.1920(8) 0.278(6) Uani 1 1 d .
C2 C 0.2850(6) 0.5359(6) 1.0452(6) 0.0858(19) Uani 1 1 d .
C3 C 0.1951(7) 0.5000(7) 0.9395(6) 0.096(2) Uani 1 1 d .
H3A H 0.116(7) 0.508(6) 0.920(6) 0.13(3) Uiso 1 1 d .
C4 C 0.2290(6) 0.4540(5) 0.8613(5) 0.0702(16) Uani 1 1 d .
C5 C 0.1235(8) 0.4080(9) 0.7476(8) 0.108(3) Uani 1 1 d .
F4 F 0.0097(4) 0.4287(3) 0.7354(3) 0.1015(11) Uani 1 1 d .
F5 F 0.170(2) 0.4755(16) 0.6783(15) 0.104(4) Uani 0.50 1 d P
F6 F 0.1199(15) 0.3070(12) 0.7066(13) 0.094(4) Uani 0.50 1 d P
F51 F 0.147(2) 0.412(4) 0.6835(18) 0.27(2) Uani 0.50 1 d P
F61 F 0.0661(17) 0.2824(16) 0.7537(17) 0.232(11) Uani 0.50 1 d P
O2 O 0.3393(4) 0.4444(3) 0.8706(3) 0.0709(10) Uani 1 1 d .
Cu2 Cu 0.0000 0.0000 0.5000 0.0507(3) Uani 1 2 d S
O3 O -0.1182(3) 0.0651(3) 0.5498(3) 0.0616(9) Uani 1 1 d .
C6 C -0.2688(9) 0.1704(11) 0.5493(10) 0.110(3) Uani 1 1 d .
F7 F -0.2652(13) 0.2865(11) 0.5537(19) 0.135(6) Uani 0.50 1 d P
F8 F -0.254(2) 0.151(2) 0.6387(16) 0.114(6) Uani 0.50 1 d P
F9 F -0.3802(12) 0.1085(18) 0.4761(14) 0.117(5) Uani 0.50 1 d P
F71 F -0.353(4) 0.216(5) 0.490(3) 0.30(2) Uani 0.50 1 d P
F81 F -0.225(3) 0.209(3) 0.650(2) 0.23(2) Uani 0.50 1 d P
F91 F -0.348(3) 0.0666(17) 0.556(3) 0.193(8) Uani 0.50 1 d P
C7 C -0.1595(6) 0.1506(6) 0.5161(4) 0.0695(16) Uani 1 1 d .
C8 C -0.1202(7) 0.2223(6) 0.4558(5) 0.0850(19) Uani 1 1 d .
H8A H -0.157(5) 0.288(5) 0.439(4) 0.087(18) Uiso 1 1 d .
C9 C -0.0206(6) 0.2123(6) 0.4222(4) 0.0741(16) Uani 1 1 d .
C10 C 0.0183(12) 0.3041(9) 0.3583(8) 0.119(3) Uani 1 1 d .
F10 F 0.0767(6) 0.4080(5) 0.4148(5) 0.188(3) Uani 1 1 d .
F11 F -0.0818(6) 0.3110(5) 0.2786(4) 0.189(3) Uani 1 1 d .
F12 F 0.0970(10) 0.2790(8) 0.3205(8) 0.274(5) Uani 1 1 d .
O4 O 0.0451(4) 0.1404(3) 0.4398(3) 0.0660(10) Uani 1 1 d .
O01 O 0.5021(4) 0.2971(4) 1.0269(3) 0.0853(12) Uani 1 1 d .
N1 N 0.4120(6) 0.2143(5) 1.0374(4) 0.0791(14) Uani 1 1 d .
C01 C 0.4275(11) 0.1818(7) 1.1457(5) 0.124(3) Uani 1 1 d .
C02 C 0.5341(13) 0.1127(11) 1.1676(9) 0.201(6) Uani 1 1 d .
H02A H 0.5512 0.0881 1.2352 0.28(6) Uiso 1 1 calc R
H02B H 0.6147 0.1633 1.1689 2.0(15) Uiso 1 1 calc R
H02C H 0.5018 0.0443 1.1122 0.25(6) Uiso 1 1 calc R
C03 C 0.4862(15) 0.2888(9) 1.2281(6) 0.161(5) Uani 1 1 d .
H03A H 0.4249 0.3356 1.2160 0.17(5) Uiso 1 1 calc R
H03B H 0.5670 0.3340 1.2255 0.21(6) Uiso 1 1 calc R
H03C H 0.5052 0.2671 1.2970 0.14(3) Uiso 1 1 calc R
C04 C 0.2880(13) 0.1098(9) 1.1179(6) 0.166(5) Uani 1 1 d .
C05 C 0.2625(14) 0.0227(11) 1.1736(9) 0.231(6) Uiso 1 1 d .
H05A H 0.3145 -0.0307 1.1728 0.006(7) Uiso 1 1 calc R
H05B H 0.1699 -0.0201 1.1411 0.083(16) Uiso 1 1 calc R
H05C H 0.2854 0.0581 1.2460 2.0(11) Uiso 1 1 calc R
C06 C 0.1951(14) 0.187(2) 1.1260(11) 0.255(9) Uani 1 1 d .
H06A H 0.1071 0.1358 1.1072 0.54(17) Uiso 1 1 calc R
H06B H 0.1923 0.2415 1.0781 0.39(13) Uiso 1 1 calc R
H06C H 0.2289 0.2294 1.1977 0.18(3) Uiso 1 1 calc R
N2 N 0.2387(6) 0.0652(5) 1.0002(4) 0.1016(19) Uani 1 1 d .
O02 O 0.1350(7) -0.0171(5) 0.9468(4) 0.150(2) Uani 1 1 d .
C07 C 0.3096(6) 0.1383(5) 0.9587(4) 0.0666(15) Uani 1 1 d .
C08 C 0.2833(5) 0.1282(4) 0.8478(4) 0.0560(13) Uani 1 1 d .
C09 C 0.1699(6) 0.0606(5) 0.7597(4) 0.0661(17) Uani 1 1 d .
H09A H 0.113(4) 0.014(4) 0.762(3) 0.033(13) Uiso 1 1 d .
N3 N 0.1829(4) 0.0731(4) 0.6698(3) 0.0634(12) Uani 1 1 d .
N4 N 0.3042(4) 0.1492(4) 0.6993(3) 0.0574(11) Uani 1 1 d .
C041 C 0.3561(7) 0.1856(5) 0.6196(5) 0.0656(15) Uani 1 1 d .
H04A H 0.279(5) 0.150(4) 0.549(4) 0.060(14) Uiso 1 1 d .
H04B H 0.455(5) 0.180(4) 0.641(3) 0.057(13) Uiso 1 1 d .
C042 C 0.3739(7) 0.3133(5) 0.6150(5) 0.0654(16) Uani 1 1 d .
H04C H 0.426(4) 0.356(4) 0.686(4) 0.044(13) Uiso 1 1 d .
H04D H 0.295(5) 0.328(4) 0.594(4) 0.070(18) Uiso 1 1 d .
C043 C 0.4368(8) 0.3510(6) 0.5385(6) 0.0744(18) Uani 1 1 d .
H04E H 0.519(7) 0.326(6) 0.563(6) 0.13(3) Uiso 1 1 d .
H04F H 0.382(5) 0.310(5) 0.471(5) 0.078(19) Uiso 1 1 d .
C044 C 0.4655(8) 0.4804(6) 0.5363(6) 0.0768(18) Uani 1 1 d .
H04G H 0.521(5) 0.531(4) 0.601(4) 0.062(16) Uiso 1 1 d .
H04H H 0.386(6) 0.501(5) 0.512(5) 0.10(3) Uiso 1 1 d .
C010 C 0.3639(6) 0.1838(5) 0.8041(5) 0.0616(15) Uani 1 1 d .
H01A H 0.443(4) 0.231(3) 0.835(3) 0.028(11) 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
O2 Cu1 O2 180.000(1) . 2_667
O2 Cu1 O1 92.43(16) . .
O2 Cu1 O1 87.57(16) 2_667 .
O2 Cu1 O1 87.57(16) . 2_667
O2 Cu1 O1 92.43(16) 2_667 2_667
O1 Cu1 O1 180.000(2) . 2_667
O2 Cu1 O01 87.57(14) . 2_667
O2 Cu1 O01 92.43(14) 2_667 2_667
O1 Cu1 O01 80.19(16) . 2_667
O1 Cu1 O01 99.81(16) 2_667 2_667
O2 Cu1 O01 92.43(14) . .
O2 Cu1 O01 87.57(14) 2_667 .
O1 Cu1 O01 99.81(16) . .
O1 Cu1 O01 80.19(16) 2_667 .
O01 Cu1 O01 180.000(1) 2_667 .
C2 O1 Cu1 123.6(4) . .
F2 C1 F1 106.2(11) . .
F2 C1 F3 104.3(10) . .
F1 C1 F3 108.3(9) . .
F2 C1 C2 113.1(7) . .
F1 C1 C2 115.0(9) . .
F3 C1 C2 109.3(10) . .
O1 C2 C3 128.1(6) . .
O1 C2 C1 113.7(7) . .
C3 C2 C1 118.3(7) . .
O1 C2 Cu1 34.9(3) . .
C3 C2 Cu1 93.5(4) . .
C1 C2 Cu1 147.7(5) . .
C4 C3 C2 121.8(7) . .
C4 C3 Cu1 61.0(4) . .
C2 C3 Cu1 61.1(4) . .
O2 C4 C3 127.8(6) . .
O2 C4 C5 112.6(6) . .
C3 C4 C5 119.7(7) . .
O2 C4 Cu1 34.0(2) . .
C3 C4 Cu1 93.8(4) . .
C5 C4 Cu1 146.5(5) . .
F51 C5 F6 69(2) . .
F51 C5 F4 115(2) . .
F6 C5 F4 117.9(10) . .
F51 C5 F5 29(3) . .
F6 C5 F5 97.6(14) . .
F4 C5 F5 105.3(9) . .
F51 C5 F61 111(2) . .
F6 C5 F61 44.0(10) . .
F4 C5 F61 89.2(12) . .
F5 C5 F61 140.0(16) . .
F51 C5 C4 121.8(17) . .
F6 C5 C4 114.2(9) . .
F4 C5 C4 112.5(8) . .
F5 C5 C4 107.2(11) . .
F61 C5 C4 100.8(11) . .
F51 F5 C5 41(2) . .
F61 F6 C5 79.9(17) . .
F61 F6 F51 124(2) . .
C5 F6 F51 46.5(11) . .
F5 F51 C5 110(5) . .
F5 F51 F6 172(4) . .
C5 F51 F6 65(2) . .
F6 F61 C5 56.1(15) . .
C4 O2 Cu1 125.0(4) . .
O4 Cu2 O4 180.00(13) . 2_556
O4 Cu2 O3 91.89(15) . .
O4 Cu2 O3 88.11(15) 2_556 .
O4 Cu2 O3 88.11(15) . 2_556
O4 Cu2 O3 91.89(15) 2_556 2_556
O3 Cu2 O3 180.00(17) . 2_556
O4 Cu2 N3 84.97(15) . 2_556
O4 Cu2 N3 95.03(15) 2_556 2_556
O3 Cu2 N3 87.97(14) . 2_556
O3 Cu2 N3 92.03(14) 2_556 2_556
O4 Cu2 N3 95.03(15) . .
O4 Cu2 N3 84.97(15) 2_556 .
O3 Cu2 N3 92.03(14) . .
O3 Cu2 N3 87.97(14) 2_556 .
N3 Cu2 N3 180.000(1) 2_556 .
C7 O3 Cu2 122.6(4) . .
F8 C6 F71 127.8(15) . .
F8 C6 F9 113.4(16) . .
F71 C6 F9 57(2) . .
F8 C6 F81 30.7(14) . .
F71 C6 F81 116(2) . .
F9 C6 F81 135.5(15) . .
F8 C6 F7 105.5(14) . .
F71 C6 F7 51(3) . .
F9 C6 F7 108.3(14) . .
F81 C6 F7 77.4(17) . .
F8 C6 F91 62.8(16) . .
F71 C6 F91 103(2) . .
F9 C6 F91 53.9(13) . .
F81 C6 F91 92.2(18) . .
F7 C6 F91 138.9(11) . .
F8 C6 C7 113.4(10) . .
F71 C6 C7 118.2(14) . .
F9 C6 C7 107.4(10) . .
F81 C6 C7 112.4(15) . .
F7 C6 C7 108.6(11) . .
F91 C6 C7 112.1(10) . .
F71 F7 C6 60.3(17) . .
F71 F7 F81 100(2) . .
C6 F7 F81 49.4(10) . .
F81 F8 C6 80(4) . .
F81 F8 F91 139(5) . .
C6 F8 F91 63.7(14) . .
F91 F9 F71 116(2) . .
F91 F9 C6 66.8(12) . .
F71 F9 C6 60.7(16) . .
F7 F71 F9 130(2) . .
F7 F71 C6 69(2) . .
F9 F71 C6 61.9(16) . .
F8 F81 C6 69(3) . .
F8 F81 F7 118(5) . .
C6 F81 F7 53.2(17) . .
F9 F91 F8 110(2) . .
F9 F91 C6 59.3(15) . .
F8 F91 C6 53.4(11) . .
O3 C7 C8 128.3(5) . .
O3 C7 C6 113.2(7) . .
C8 C7 C6 118.5(7) . .
O3 C7 Cu2 35.6(2) . .
C8 C7 Cu2 93.1(4) . .
C6 C7 Cu2 147.8(6) . .
C7 C8 C9 123.0(6) . .
C7 C8 Cu2 62.3(3) . .
C9 C8 Cu2 61.1(3) . .
O4 C9 C8 128.3(6) . .
O4 C9 C10 114.5(6) . .
C8 C9 C10 117.2(7) . .
O4 C9 Cu2 35.4(3) . .
C8 C9 Cu2 93.5(4) . .
C10 C9 Cu2 149.1(6) . .
F12 C10 F11 105.8(9) . .
F12 C10 F10 106.1(11) . .
F11 C10 F10 107.3(7) . .
F12 C10 C9 112.2(7) . .
F11 C10 C9 112.3(9) . .
F10 C10 C9 112.6(8) . .
C9 O4 Cu2 123.2(4) . .
N1 O01 Cu1 129.0(4) . .
O01 N1 C07 125.8(5) . .
O01 N1 C01 121.7(6) . .
C07 N1 C01 111.8(6) . .
C03 C01 C04 119.7(10) . .
C03 C01 N1 110.0(7) . .
C04 C01 N1 99.2(6) . .
C03 C01 C02 106.7(11) . .
C04 C01 C02 116.5(10) . .
N1 C01 C02 103.0(7) . .
C05 C04 C01 120.2(11) . .
C05 C04 N2 113.6(8) . .
C01 C04 N2 102.4(7) . .
C05 C04 C06 102.7(13) . .
C01 C04 C06 113.2(10) . .
N2 C04 C06 103.9(9) . .
O02 N2 C07 125.0(5) . .
O02 N2 C04 124.4(6) . .
C07 N2 C04 109.8(6) . .
N1 C07 N2 108.9(5) . .
N1 C07 C08 125.9(5) . .
N2 C07 C08 125.0(5) . .
C010 C08 C09 103.8(5) . .
C010 C08 C07 127.2(5) . .
C09 C08 C07 129.0(5) . .
N3 C09 C08 111.4(5) . .
C09 N3 N4 104.8(4) . .
C09 N3 Cu2 122.1(4) . .
N4 N3 Cu2 131.9(3) . .
C010 N4 N3 111.4(4) . .
C010 N4 C041 127.4(5) . .
N3 N4 C041 121.2(4) . .
N4 C041 C042 112.7(5) . .
C041 C042 C043 111.9(5) . .
C044 C043 C042 114.1(5) . .
C043 C044 C044 114.3(7) . 2_666
N4 C010 C08 108.5(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O2 1.935(4) .
Cu1 O2 1.935(4) 2_667
Cu1 O1 1.946(4) .
Cu1 O1 1.946(4) 2_667
Cu1 O01 2.460(4) 2_667
Cu1 O01 2.460(4) .
O1 C2 1.250(7) .
C1 F2 1.245(10) .
C1 F1 1.258(11) .
C1 F3 1.289(14) .
C1 C2 1.530(10) .
C2 C3 1.387(9) .
C3 C4 1.380(9) .
C4 O2 1.239(6) .
C4 C5 1.527(10) .
C5 F51 1.01(2) .
C5 F6 1.262(18) .
C5 F4 1.319(8) .
C5 F5 1.46(2) .
C5 F61 1.50(2) .
F5 F51 0.76(5) .
F6 F61 1.06(2) .
F6 F51 1.30(4) .
Cu2 O4 1.960(4) .
Cu2 O4 1.960(4) 2_556
Cu2 O3 1.980(3) .
Cu2 O3 1.980(3) 2_556
Cu2 N3 2.391(4) 2_556
Cu2 N3 2.391(4) .
O3 C7 1.261(6) .
C6 F8 1.225(18) .
C6 F71 1.266(19) .
C6 F9 1.281(17) .
C6 F81 1.29(3) .
C6 F7 1.358(18) .
C6 F91 1.37(2) .
C6 C7 1.526(9) .
F7 F71 1.14(6) .
F7 F81 1.66(4) .
F8 F81 0.67(3) .
F8 F91 1.36(3) .
F9 F91 1.20(3) .
F9 F71 1.22(5) .
C7 C8 1.348(8) .
C8 C9 1.392(9) .
C9 O4 1.236(7) .
C9 C10 1.537(10) .
C10 F12 1.262(10) .
C10 F11 1.274(10) .
C10 F10 1.277(10) .
O01 N1 1.298(6) .
N1 C07 1.319(7) .
N1 C01 1.525(8) .
C01 C03 1.462(10) .
C01 C04 1.493(12) .
C01 C02 1.562(12) .
C04 C05 1.373(12) .
C04 N2 1.503(8) .
C04 C06 1.567(18) .
N2 O02 1.254(7) .
N2 C07 1.346(7) .
C07 C08 1.429(7) .
C08 C010 1.348(7) .
C08 C09 1.399(8) .
C09 N3 1.313(6) .
N3 N4 1.344(5) .
N4 C010 1.322(6) .
N4 C041 1.473(6) .
C041 C042 1.484(8) .
C042 C043 1.516(8) .
C043 C044 1.493(9) .
C044 C044 1.520(12) 2_666
