#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/62/4306205.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_4306205
loop_
_publ_author_name
'Victor I. Ovcharenko'
'Galina V. Romanenko'
'Ksenia Yu. Maryunina'
'Artem S. Bogomyakov'
'Elena V. Gorelik'
_publ_section_title
;
Thermally Induced Magnetic Anomalies in Solvates of the
Bis(hexafluoroacetylacetonate)copper(II) Complex with Pyrazolyl-Substituted
Nitronyl Nitroxide
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9537
_journal_page_last               9552
_journal_paper_doi               10.1021/ic8011074
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C26 H29.5 Cl0.5 Cu F12 N4 O6'
_chemical_formula_weight         803.30
_chemical_name_systematic
; 
 catena-(bis(m2-4,4,5,5-Tetramethyl-2-
 (1-butylpyrazole-4-yl)-4,5-dihydro-1H-
 imidazol-3-oxide-1-oxyl)-tetrakis(1,
 1,1,5,5,5-hexafluoropentan-2,4-
 dionato)-di-copper(ii)) chlorobutane solvate 
;
_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                99.848(2)
_cell_angle_beta                 112.137(2)
_cell_angle_gamma                94.697(2)
_cell_formula_units_Z            2
_cell_length_a                   10.4676(15)
_cell_length_b                   13.0922(19)
_cell_length_c                   13.424(2)
_cell_measurement_reflns_used    9944
_cell_measurement_temperature    80(2)
_cell_measurement_theta_max      26.56
_cell_measurement_theta_min      2.45
_cell_volume                     1657.2(4)
_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      80(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_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  0.0440
_diffrn_reflns_av_sigmaI/netI    0.0563
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            16049
_diffrn_reflns_theta_full        26.52
_diffrn_reflns_theta_max         26.52
_diffrn_reflns_theta_min         2.05
_exptl_absorpt_coefficient_mu    0.812
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.610
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             814
_refine_diff_density_max         1.295
_refine_diff_density_min         -0.775
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     517
_refine_ls_number_reflns         6719
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.116
_refine_ls_R_factor_all          0.0618
_refine_ls_R_factor_gt           0.0535
_refine_ls_shift/su_max          1.289
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0469P)²+2.0499P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1306
_refine_ls_wR_factor_ref         0.1348
_reflns_number_gt                5905
_reflns_number_total             6719
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8011074_si_001_05.cif
_cod_data_source_block           Bu_Cl080
_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 
;
_cod_original_formula_sum        'C26 H29.50 Cl0.50 Cu F12 N4 O6'
_cod_database_code               4306205
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 1.0000 0.5000 0.01411(13) Uani 1 2 d S . .
O1 O 0.1102(2) 0.91144(16) 0.44268(17) 0.0157(4) Uani 1 1 d . . .
C1 C 0.2608(3) 0.8602(3) 0.3584(3) 0.0200(7) Uani 1 1 d . . .
F1 F 0.168(2) 0.8399(10) 0.2635(16) 0.026(2) Uani 0.50 1 d P . .
F2 F 0.2792(2) 0.77761(16) 0.40520(19) 0.0333(5) Uani 1 1 d . . .
F3 F 0.379(4) 0.898(2) 0.341(2) 0.022(3) Uani 0.50 1 d P . .
F1A F 0.161(2) 0.8132(9) 0.2498(15) 0.023(2) Uani 0.50 1 d P . .
F3A F 0.382(4) 0.887(2) 0.361(2) 0.024(3) Uani 0.50 1 d P . .
C2 C 0.2120(3) 0.9461(2) 0.4228(2) 0.0156(6) Uani 1 1 d . . .
C3 C 0.2797(3) 1.0488(2) 0.4489(3) 0.0173(6) Uani 1 1 d . . .
H3A H 0.3579 1.0633 0.4310 0.021 Uiso 1 1 calc R . .
C4 C 0.2344(3) 1.1313(2) 0.5014(2) 0.0151(6) Uani 1 1 d . . .
C5 C 0.3136(3) 1.2432(2) 0.5266(3) 0.0189(6) Uani 1 1 d . . .
F4 F 0.4151(2) 1.24757(15) 0.48971(17) 0.0266(4) Uani 1 1 d . . .
F5 F 0.374(2) 1.2932(14) 0.640(2) 0.018(2) Uani 0.50 1 d P . .
F6 F 0.2260(2) 1.30646(15) 0.48126(18) 0.0281(5) Uani 1 1 d . . .
F5A F 0.369(3) 1.2695(14) 0.631(2) 0.024(3) Uani 0.50 1 d P . .
O2 O 0.1349(2) 1.12690(16) 0.53159(17) 0.0167(4) Uani 1 1 d . . .
Cu2 Cu -0.5000 0.5000 0.0000 0.01598(14) Uani 1 2 d S . .
O3 O -0.6624(2) 0.56820(16) -0.01063(18) 0.0166(4) Uani 1 1 d . . .
C6 C -0.8374(3) 0.6399(3) 0.0328(3) 0.0200(7) Uani 1 1 d . . .
F7 F -0.9238(2) 0.60820(18) -0.07354(17) 0.0326(5) Uani 1 1 d . . .
F8 F -0.795(3) 0.7317(14) 0.0392(15) 0.019(2) Uani 0.50 1 d P . .
F9 F -0.9136(2) 0.62910(16) 0.09209(17) 0.0280(5) Uani 1 1 d . . .
F8A F -0.788(2) 0.7515(13) 0.0619(15) 0.017(2) Uani 0.50 1 d P . .
C7 C -0.7145(3) 0.5781(2) 0.0605(3) 0.0173(6) Uani 1 1 d . . .
C8 C -0.6728(4) 0.5440(3) 0.1584(3) 0.0235(7) Uani 1 1 d . . .
H8A H -0.7196 0.5604 0.2060 0.028 Uiso 1 1 calc R . .
C9 C -0.5634(3) 0.4860(2) 0.1886(3) 0.0207(7) Uani 1 1 d . . .
C10 C -0.5303(4) 0.4493(3) 0.2974(3) 0.0265(8) Uani 1 1 d . . .
F10 F -0.533(4) 0.527(3) 0.381(3) 0.032(5) Uani 0.50 1 d P . .
F11 F -0.609(2) 0.3659(17) 0.2872(19) 0.057(5) Uani 0.50 1 d P . .
F12 F -0.4009(18) 0.4163(12) 0.3394(14) 0.0239(18) Uani 0.50 1 d P . .
F10A F -0.557(4) 0.514(3) 0.368(3) 0.030(5) Uani 0.50 1 d P . .
F11A F -0.6244(17) 0.3578(15) 0.2757(17) 0.032(3) Uani 0.50 1 d P . .
F12A F -0.402(2) 0.4425(14) 0.3371(19) 0.049(5) Uani 0.50 1 d P . .
O4 O -0.4908(2) 0.45573(17) 0.13627(18) 0.0184(5) Uani 1 1 d . . .
O01 O -0.0880(2) 1.02539(17) 0.31781(17) 0.0167(4) Uani 1 1 d . . .
N1 N -0.2178(3) 1.0350(2) 0.2655(2) 0.0150(5) Uani 1 1 d . . .
C01 C -0.2614(3) 1.1402(2) 0.2500(3) 0.0174(6) Uani 1 1 d . . .
C02 C -0.2195(3) 1.1686(3) 0.1590(3) 0.0214(7) Uani 1 1 d . . .
H02A H -0.1175 1.1860 0.1873 0.032 Uiso 1 1 calc R . .
H02B H -0.2616 1.2292 0.1358 0.032 Uiso 1 1 calc R . .
H02C H -0.2525 1.1086 0.0959 0.032 Uiso 1 1 calc R . .
C03 C -0.1864(3) 1.2233(2) 0.3568(3) 0.0199(6) Uani 1 1 d . . .
H03A H -0.0864 1.2363 0.3727 0.030 Uiso 1 1 calc R . .
H03B H -0.1997 1.1982 0.4176 0.030 Uiso 1 1 calc R . .
H03C H -0.2249 1.2886 0.3488 0.030 Uiso 1 1 calc R . .
C04 C -0.4213(3) 1.1111(2) 0.2141(3) 0.0173(6) Uani 1 1 d . . .
C05 C -0.5104(3) 1.1655(3) 0.1268(3) 0.0213(7) Uani 1 1 d . . .
H05A H -0.6095 1.1426 0.1090 0.032 Uiso 1 1 calc R . .
H05B H -0.4918 1.1471 0.0601 0.032 Uiso 1 1 calc R . .
H05C H -0.4872 1.2417 0.1549 0.032 Uiso 1 1 calc R . .
C06 C -0.4668(3) 1.1211(3) 0.3109(3) 0.0218(7) Uani 1 1 d . . .
H06A H -0.5685 1.1017 0.2826 0.033 Uiso 1 1 calc R . .
H06B H -0.4391 1.1938 0.3535 0.033 Uiso 1 1 calc R . .
H06C H -0.4218 1.0742 0.3584 0.033 Uiso 1 1 calc R . .
N2 N -0.4424(3) 0.9956(2) 0.1659(2) 0.0164(5) Uani 1 1 d . . .
O02 O -0.5636(2) 0.94185(18) 0.10611(19) 0.0212(5) Uani 1 1 d . . .
C07 C -0.3226(3) 0.9558(2) 0.2055(2) 0.0158(6) Uani 1 1 d . . .
C08 C -0.3092(3) 0.8465(2) 0.1855(3) 0.0159(6) Uani 1 1 d . . .
C09 C -0.4139(3) 0.7585(2) 0.1225(3) 0.0168(6) Uani 1 1 d . . .
H09A H -0.5100 0.7623 0.0851 0.020 Uiso 1 1 calc R . .
N3 N -0.3605(3) 0.6702(2) 0.1224(2) 0.0166(5) Uani 1 1 d . . .
H3B H -0.4055 0.6060 0.0892 0.020 Uiso 1 1 calc R . .
N4 N -0.2211(3) 0.7000(2) 0.1849(2) 0.0170(5) Uani 1 1 d . . .
C041 C -0.1284(3) 0.6224(2) 0.2143(3) 0.0187(6) Uani 1 1 d . . .
H04A H -0.0325 0.6533 0.2273 0.022 Uiso 1 1 calc R . .
H04B H -0.1594 0.5608 0.1518 0.022 Uiso 1 1 calc R . .
C042 C -0.1261(4) 0.5862(3) 0.3165(3) 0.0249(7) Uani 1 1 d . . .
H04C H -0.2233 0.5635 0.3071 0.030 Uiso 1 1 calc R . .
H04D H -0.0842 0.6461 0.3809 0.030 Uiso 1 1 calc R . .
C043 C -0.0433(4) 0.4957(3) 0.3395(3) 0.0292(8) Uani 1 1 d . . .
H04E H -0.0554 0.4697 0.4009 0.035 Uiso 1 1 calc R . .
H04F H -0.0823 0.4374 0.2734 0.035 Uiso 1 1 calc R . .
C044 C 0.1103(4) 0.5258(4) 0.3685(4) 0.0415(10) Uani 1 1 d . . .
H04G H 0.1571 0.4646 0.3821 0.062 Uiso 1 1 calc R . .
H04H H 0.1504 0.5822 0.4350 0.062 Uiso 1 1 calc R . .
H04I H 0.1235 0.5500 0.3074 0.062 Uiso 1 1 calc R . .
C010 C -0.1862(3) 0.8039(2) 0.2243(2) 0.0166(6) Uani 1 1 d . . .
H01A H -0.0953 0.8415 0.2697 0.020 Uiso 1 1 calc R . .
Cl1S Cl -0.83573(18) 0.17766(15) 0.21442(16) 0.0326(4) Uani 0.50 1 d P . .
C1S C -0.8892(6) 0.0609(5) 0.1535(4) 0.0661(17) Uani 1 1 d . . .
C2S C -0.9673(6) 0.0554(5) 0.0299(4) 0.0686(19) Uani 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'
Cl Cl 0.1484 0.1585 '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(8) 2_576 . ?
O1 Cu1 O2 91.78(9) 2_576 2_576 ?
O1 Cu1 O2 88.22(9) . 2_576 ?
O1 Cu1 O2 88.22(9) 2_576 . ?
O1 Cu1 O2 91.78(9) . . ?
O2 Cu1 O2 180.00(12) 2_576 . ?
O1 Cu1 O01 81.69(8) 2_576 2_576 ?
O1 Cu1 O01 98.31(8) . 2_576 ?
O2 Cu1 O01 84.80(8) 2_576 2_576 ?
O2 Cu1 O01 95.20(8) . 2_576 ?
O1 Cu1 O01 98.31(8) 2_576 . ?
O1 Cu1 O01 81.69(8) . . ?
O2 Cu1 O01 95.20(8) 2_576 . ?
O2 Cu1 O01 84.80(8) . . ?
O01 Cu1 O01 179.999(2) 2_576 . ?
C2 O1 Cu1 124.4(2) . . ?
F1 C1 F3A 112.8(16) . . ?
F1 C1 F2 113.7(8) . . ?
F3A C1 F2 101.6(11) . . ?
F1 C1 F3 102.0(16) . . ?
F3A C1 F3 12(2) . . ?
F2 C1 F3 112.4(11) . . ?
F1 C1 F1A 13.0(12) . . ?
F3A C1 F1A 112.6(15) . . ?
F2 C1 F1A 101.7(7) . . ?
F3 C1 F1A 103.4(14) . . ?
F1 C1 C2 104.2(8) . . ?
F3A C1 C2 113.8(15) . . ?
F2 C1 C2 111.0(3) . . ?
F3 C1 C2 113.0(12) . . ?
F1A C1 C2 114.6(7) . . ?
O1 C2 C3 128.6(3) . . ?
O1 C2 C1 113.0(3) . . ?
C3 C2 C1 118.3(3) . . ?
C2 C3 C4 120.9(3) . . ?
O2 C4 C3 128.3(3) . . ?
O2 C4 C5 113.6(3) . . ?
C3 C4 C5 118.0(3) . . ?
F5A C5 F6 113.0(11) . . ?
F5A C5 F4 108.2(13) . . ?
F6 C5 F4 107.9(3) . . ?
F5A C5 F5 11.4(18) . . ?
F6 C5 F5 103.2(9) . . ?
F4 C5 F5 107.3(10) . . ?
F5A C5 C4 104.4(10) . . ?
F6 C5 C4 110.4(3) . . ?
F4 C5 C4 113.1(2) . . ?
F5 C5 C4 114.3(10) . . ?
C4 O2 Cu1 124.85(19) . . ?
O3 Cu2 O3 180.0 2_465 . ?
O3 Cu2 O4 92.17(9) 2_465 2_465 ?
O3 Cu2 O4 87.83(9) . 2_465 ?
O3 Cu2 O4 87.83(9) 2_465 . ?
O3 Cu2 O4 92.17(9) . . ?
O4 Cu2 O4 179.998(2) 2_465 . ?
O3 Cu2 N3 94.85(9) 2_465 . ?
O3 Cu2 N3 85.15(9) . . ?
O4 Cu2 N3 93.56(8) 2_465 . ?
O4 Cu2 N3 86.44(8) . . ?
C7 O3 Cu2 124.8(2) . . ?
F8 C6 F9 113.1(9) . . ?
F8 C6 F7 102.3(10) . . ?
F9 C6 F7 107.2(3) . . ?
F8 C6 F8A 11.5(15) . . ?
F9 C6 F8A 103.0(8) . . ?
F7 C6 F8A 111.6(9) . . ?
F8 C6 C7 109.7(12) . . ?
F9 C6 C7 113.2(3) . . ?
F7 C6 C7 110.8(3) . . ?
F8A C6 C7 110.8(10) . . ?
O3 C7 C8 128.7(3) . . ?
O3 C7 C6 113.2(3) . . ?
C8 C7 C6 118.0(3) . . ?
C7 C8 C9 121.5(3) . . ?
O4 C9 C8 128.4(3) . . ?
O4 C9 C10 114.9(3) . . ?
C8 C9 C10 116.6(3) . . ?
F12A C10 F11 113.3(12) . . ?
F12A C10 F10A 109(2) . . ?
F11 C10 F10A 101.4(19) . . ?
F12A C10 F12 14.1(14) . . ?
F11 C10 F12 99.3(12) . . ?
F10A C10 F12 114.7(18) . . ?
F12A C10 F10 99.4(19) . . ?
F11 C10 F10 109.6(18) . . ?
F10A C10 F10 10(3) . . ?
F12 C10 F10 106.4(17) . . ?
F12A C10 F11A 116.8(10) . . ?
F11 C10 F11A 5.5(18) . . ?
F10A C10 F11A 103.6(18) . . ?
F12 C10 F11A 102.8(10) . . ?
F10 C10 F11A 112.3(17) . . ?
F12A C10 C9 108.0(9) . . ?
F11 C10 C9 113.3(11) . . ?
F10A C10 C9 111.9(16) . . ?
F12 C10 C9 114.8(7) . . ?
F10 C10 C9 112.5(15) . . ?
F11A C10 C9 107.8(8) . . ?
C9 O4 Cu2 123.8(2) . . ?
N1 O01 Cu1 122.58(17) . . ?
O01 N1 C07 125.5(3) . . ?
O01 N1 C01 122.0(2) . . ?
C07 N1 C01 111.7(2) . . ?
N1 C01 C03 110.4(2) . . ?
N1 C01 C02 106.4(2) . . ?
C03 C01 C02 110.1(3) . . ?
N1 C01 C04 99.8(2) . . ?
C03 C01 C04 115.5(3) . . ?
C02 C01 C04 113.9(3) . . ?
N2 C04 C05 109.5(3) . . ?
N2 C04 C06 106.3(2) . . ?
C05 C04 C06 110.9(3) . . ?
N2 C04 C01 100.6(2) . . ?
C05 C04 C01 115.0(3) . . ?
C06 C04 C01 113.6(3) . . ?
O02 N2 C07 125.5(3) . . ?
O02 N2 C04 122.4(2) . . ?
C07 N2 C04 111.5(2) . . ?
N1 C07 N2 108.7(3) . . ?
N1 C07 C08 125.5(3) . . ?
N2 C07 C08 125.8(3) . . ?
C010 C08 C09 104.3(3) . . ?
C010 C08 C07 126.7(3) . . ?
C09 C08 C07 129.0(3) . . ?
N3 C09 C08 111.2(3) . . ?
C09 N3 N4 105.2(2) . . ?
C09 N3 Cu2 121.9(2) . . ?
N4 N3 Cu2 131.96(19) . . ?
C010 N4 N3 112.4(2) . . ?
C010 N4 C041 125.8(3) . . ?
N3 N4 C041 121.4(2) . . ?
N4 C041 C042 112.5(3) . . ?
C041 C042 C043 112.6(3) . . ?
C044 C043 C042 113.5(3) . . ?
N4 C010 C08 106.8(3) . . ?
C2S C1S Cl1S 108.9(4) . . ?
C2S C2S C1S 110.2(6) 2_355 . ?
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 1.962(2) 2_576 ?
Cu1 O1 1.962(2) . ?
Cu1 O2 1.964(2) 2_576 ?
Cu1 O2 1.964(2) . ?
Cu1 O01 2.360(2) 2_576 ?
Cu1 O01 2.360(2) . ?
O1 C2 1.261(4) . ?
C1 F1 1.24(2) . ?
C1 F3A 1.27(3) . ?
C1 F2 1.333(4) . ?
C1 F3 1.41(3) . ?
C1 F1A 1.427(17) . ?
C1 C2 1.539(4) . ?
C2 C3 1.389(4) . ?
C3 C4 1.402(4) . ?
C4 O2 1.253(4) . ?
C4 C5 1.539(4) . ?
C5 F5A 1.27(3) . ?
C5 F6 1.331(4) . ?
C5 F4 1.333(4) . ?
C5 F5 1.42(3) . ?
Cu2 O3 1.954(2) 2_465 ?
Cu2 O3 1.954(2) . ?
Cu2 O4 1.982(2) 2_465 ?
Cu2 O4 1.982(2) . ?
Cu2 N3 2.490(3) . ?
O3 C7 1.260(4) . ?
C6 F8 1.22(2) . ?
C6 F9 1.337(4) . ?
C6 F7 1.338(4) . ?
C6 F8A 1.444(17) . ?
C6 C7 1.536(4) . ?
C7 C8 1.384(5) . ?
C8 C9 1.397(5) . ?
C9 O4 1.259(4) . ?
C9 C10 1.539(5) . ?
C10 F12A 1.26(2) . ?
C10 F11 1.27(2) . ?
C10 F10A 1.28(3) . ?
C10 F12 1.393(17) . ?
C10 F10 1.39(3) . ?
C10 F11A 1.400(19) . ?
O01 N1 1.302(3) . ?
N1 C07 1.338(4) . ?
N1 C01 1.509(4) . ?
C01 C03 1.528(4) . ?
C01 C02 1.535(4) . ?
C01 C04 1.550(4) . ?
C04 N2 1.502(4) . ?
C04 C05 1.524(4) . ?
C04 C06 1.533(4) . ?
N2 O02 1.281(3) . ?
N2 C07 1.351(4) . ?
C07 C08 1.438(4) . ?
C08 C010 1.397(4) . ?
C08 C09 1.416(4) . ?
C09 N3 1.325(4) . ?
N3 N4 1.364(4) . ?
N4 C010 1.339(4) . ?
N4 C041 1.462(4) . ?
C041 C042 1.519(4) . ?
C042 C043 1.531(5) . ?
C043 C044 1.505(5) . ?
Cl1S C1S 1.552(7) . ?
C1S C2S 1.535(7) . ?
C2S C2S 1.498(14) 2_355 ?
