#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/62/4306251.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_4306251
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            'C26.5 H31 Cu F12 N4 O6'
_chemical_formula_weight         793.09
_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)) pentane 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                106.047(15)
_cell_angle_beta                 104.044(14)
_cell_angle_gamma                107.304(15)
_cell_formula_units_Z            2
_cell_length_a                   11.954(12)
_cell_length_b                   11.999(12)
_cell_length_c                   13.431(13)
_cell_measurement_reflns_used    3132
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      25.02
_cell_measurement_theta_min      2.67
_cell_volume                     1653(3)
_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      120(2)
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.955
_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  0.0956
_diffrn_reflns_av_sigmaI/netI    0.1431
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15622
_diffrn_reflns_theta_full        26.71
_diffrn_reflns_theta_max         26.71
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    0.774
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            dark
_exptl_crystal_density_diffrn    1.593
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bulk
_exptl_crystal_F_000             806
_refine_diff_density_max         1.179
_refine_diff_density_min         -1.275
_refine_diff_density_rms         0.122
_refine_ls_extinction_coef       0.0038(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.222
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     455
_refine_ls_number_reflns         6690
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.222
_refine_ls_R_factor_all          0.1343
_refine_ls_R_factor_gt           0.0867
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0492P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1778
_refine_ls_wR_factor_ref         0.1906
_reflns_number_gt                3854
_reflns_number_total             6690
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8011074_si_001_51.cif
_cod_data_source_block           betaPent120
_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        'C26.50 H31 Cu F12 N4 O6'
_cod_database_code               4306251
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
Cu2 Cu 0.5000 0.0000 0.5000 0.0285(3) Uani 1 2 d S . .
O1 O 0.1237(3) 0.0984(4) 0.1485(3) 0.0356(10) Uani 1 1 d . . .
C1 C 0.3008(6) 0.2506(6) 0.2960(5) 0.0444(16) Uani 1 1 d . . .
F1 F 0.2367(4) 0.2431(5) 0.3591(3) 0.111(2) Uani 1 1 d . . .
F2 F 0.3773(4) 0.3692(4) 0.3307(3) 0.0829(15) Uani 1 1 d . . .
F3 F 0.3742(4) 0.1895(4) 0.3147(3) 0.0806(14) Uani 1 1 d . . .
C2 C 0.2209(5) 0.1949(5) 0.1725(4) 0.0328(14) Uani 1 1 d . . .
C3 C 0.2612(5) 0.2474(5) 0.1027(5) 0.0389(15) Uani 1 1 d . . .
H3A H 0.3372 0.3198 0.1325 0.047 Uiso 1 1 calc R . .
C4 C 0.1947(5) 0.1980(6) -0.0101(5) 0.0404(15) Uani 1 1 d . . .
C5 C 0.2452(6) 0.2613(7) -0.0816(6) 0.0555(19) Uani 1 1 d . . .
F4 F 0.3572(4) 0.3513(4) -0.0305(3) 0.0879(16) Uani 1 1 d . . .
F5 F 0.2479(5) 0.1782(5) -0.1693(4) 0.0932(16) Uani 1 1 d . . .
F6 F 0.1691(4) 0.3106(4) -0.1221(3) 0.0780(13) Uani 1 1 d . . .
O2 O 0.0929(3) 0.1018(4) -0.0640(3) 0.0391(10) Uani 1 1 d . . .
Cu1 Cu 0.0000 0.0000 0.0000 0.0361(3) Uani 1 2 d S . .
O3 O 0.4317(3) 0.1156(3) 0.5680(3) 0.0297(9) Uani 1 1 d . . .
C6 C 0.4047(6) 0.2921(6) 0.6650(5) 0.0421(16) Uani 1 1 d . . .
F7 F 0.2822(4) 0.2234(4) 0.6273(3) 0.0727(12) Uani 1 1 d . . .
F8 F 0.4487(4) 0.2990(4) 0.7679(3) 0.0729(13) Uani 1 1 d . . .
F9 F 0.4176(4) 0.4075(4) 0.6735(3) 0.0748(13) Uani 1 1 d . . .
C7 C 0.4689(5) 0.2336(5) 0.5950(4) 0.0294(13) Uani 1 1 d . . .
C8 C 0.5576(5) 0.3121(5) 0.5708(4) 0.0351(14) Uani 1 1 d . . .
H8A H 0.5737 0.3994 0.5978 0.042 Uiso 1 1 calc R . .
C9 C 0.6270(5) 0.2710(6) 0.5079(4) 0.0304(13) Uani 1 1 d . . .
C10 C 0.7217(6) 0.3770(6) 0.4903(5) 0.0398(15) Uani 1 1 d . . .
F10 F 0.7849(3) 0.3349(3) 0.4327(3) 0.0512(10) Uani 1 1 d . . .
F11 F 0.8047(3) 0.4664(3) 0.5882(3) 0.0595(11) Uani 1 1 d . . .
F12 F 0.6640(3) 0.4343(4) 0.4374(3) 0.0620(11) Uani 1 1 d . . .
O4 O 0.6221(3) 0.1632(3) 0.4646(3) 0.0363(10) Uani 1 1 d . . .
O01 O 0.0803(3) -0.1645(4) -0.0329(3) 0.0358(10) Uani 1 1 d . . .
N1 N 0.1826(4) -0.1758(4) -0.0399(3) 0.0312(11) Uani 1 1 d . . .
C01 C 0.2033(5) -0.2080(6) -0.1497(4) 0.0357(14) Uani 1 1 d . . .
C02 C 0.0880(5) -0.3249(6) -0.2326(4) 0.0510(19) Uani 1 1 d . . .
H02A H 0.0154 -0.3020 -0.2495 0.077 Uiso 1 1 calc R . .
H02B H 0.0712 -0.3894 -0.2005 0.077 Uiso 1 1 calc R . .
H02C H 0.1038 -0.3579 -0.3009 0.077 Uiso 1 1 calc R . .
C03 C 0.2166(5) -0.0961(6) -0.1819(5) 0.0433(16) Uani 1 1 d . . .
H03A H 0.1356 -0.0883 -0.2018 0.065 Uiso 1 1 calc R . .
H03B H 0.2445 -0.1071 -0.2455 0.065 Uiso 1 1 calc R . .
H03C H 0.2785 -0.0198 -0.1194 0.065 Uiso 1 1 calc R . .
C04 C 0.3257(5) -0.2321(5) -0.1158(4) 0.0349(14) Uani 1 1 d . . .
C05 C 0.3067(6) -0.3712(6) -0.1428(5) 0.0544(19) Uani 1 1 d . . .
H05A H 0.3883 -0.3769 -0.1186 0.082 Uiso 1 1 calc R . .
H05B H 0.2649 -0.4182 -0.2228 0.082 Uiso 1 1 calc R . .
H05C H 0.2549 -0.4069 -0.1040 0.082 Uiso 1 1 calc R . .
C06 C 0.4279(5) -0.1666(6) -0.1556(4) 0.0432(16) Uani 1 1 d . . .
H06A H 0.5014 -0.1862 -0.1310 0.065 Uiso 1 1 calc R . .
H06B H 0.4517 -0.0752 -0.1243 0.065 Uiso 1 1 calc R . .
H06C H 0.3956 -0.1967 -0.2366 0.065 Uiso 1 1 calc R . .
N2 N 0.3721(4) -0.1698(4) 0.0076(4) 0.0361(12) Uani 1 1 d . . .
O02 O 0.4815(3) -0.1546(4) 0.0687(3) 0.0411(10) Uani 1 1 d . . .
C07 C 0.2836(5) -0.1499(5) 0.0460(4) 0.0293(13) Uani 1 1 d . . .
C08 C 0.2923(5) -0.1128(5) 0.1597(4) 0.0301(13) Uani 1 1 d . . .
C09 C 0.3974(5) -0.0822(5) 0.2533(4) 0.0312(13) Uani 1 1 d . . .
H09A H 0.4778 -0.0768 0.2518 0.037 Uiso 1 1 calc R . .
N3 N 0.3669(4) -0.0617(4) 0.3448(3) 0.0271(10) Uani 1 1 d . . .
N4 N 0.2428(4) -0.0789(4) 0.3098(3) 0.0305(11) Uani 1 1 d . . .
C041 C 0.1733(5) -0.0735(5) 0.3851(4) 0.0356(14) Uani 1 1 d . . .
H04A H 0.1225 -0.0236 0.3719 0.043 Uiso 1 1 calc R . .
H04B H 0.2333 -0.0297 0.4624 0.043 Uiso 1 1 calc R . .
C042 C 0.0878(5) -0.2028(5) 0.3712(4) 0.0372(14) Uani 1 1 d . . .
H04C H 0.1376 -0.2546 0.3795 0.045 Uiso 1 1 calc R . .
H04D H 0.0241 -0.2444 0.2955 0.045 Uiso 1 1 calc R . .
C043 C 0.0221(6) -0.1967(6) 0.4552(5) 0.0478(17) Uani 1 1 d . . .
H04E H 0.0861 -0.1569 0.5307 0.057 Uiso 1 1 calc R . .
H04F H -0.0253 -0.1425 0.4482 0.057 Uiso 1 1 calc R . .
C044 C -0.0664(6) -0.3241(7) 0.4410(6) 0.060(2) Uani 1 1 d . . .
H04G H -0.1057 -0.3142 0.4972 0.091 Uiso 1 1 calc R . .
H04H H -0.0198 -0.3778 0.4495 0.091 Uiso 1 1 calc R . .
H04I H -0.1313 -0.3633 0.3670 0.091 Uiso 1 1 calc R . .
C010 C 0.1975(5) -0.1096(5) 0.2015(4) 0.0330(14) Uani 1 1 d . . .
H01A H 0.1139 -0.1265 0.1593 0.040 Uiso 1 1 calc R . .
C1S C 0.0614(9) 0.5324(11) 0.0169(11) 0.128(5) Uani 1 1 d . . 1
H1SA H 0.0773 0.6228 0.0349 0.154 Uiso 1 1 calc R . 1
H1SB H 0.0906 0.5050 -0.0450 0.154 Uiso 1 1 calc R . 1
C2S C 0.1385(13) 0.5182(13) 0.1175(13) 0.129(5) Uani 1 1 d . A 1
H2SA H 0.1182 0.5577 0.1821 0.155 Uiso 1 1 calc R A 1
H2SB H 0.1122 0.4273 0.1038 0.155 Uiso 1 1 calc R A 1
C3S C 0.240(2) 0.5588(17) 0.1391(17) 0.107(9) Uani 0.50 1 d P A 1
H3SA H 0.2807 0.5479 0.2063 0.161 Uiso 0.50 1 calc PR A 1
H3SB H 0.2674 0.6488 0.1522 0.161 Uiso 0.50 1 calc PR A 1
H3SC H 0.2621 0.5162 0.0781 0.161 Uiso 1 1 calc R A 1
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
O3 Cu2 O3 179.998(1) . 2_656 ?
O3 Cu2 N3 86.72(16) . 2_656 ?
O3 Cu2 N3 93.28(16) 2_656 2_656 ?
O3 Cu2 N3 93.28(16) . . ?
O3 Cu2 N3 86.72(16) 2_656 . ?
N3 Cu2 N3 180.0 2_656 . ?
O3 Cu2 O4 92.97(16) . 2_656 ?
O3 Cu2 O4 87.03(16) 2_656 2_656 ?
N3 Cu2 O4 89.37(16) 2_656 2_656 ?
N3 Cu2 O4 90.63(16) . 2_656 ?
O3 Cu2 O4 87.03(16) . . ?
O3 Cu2 O4 92.97(16) 2_656 . ?
N3 Cu2 O4 90.62(16) 2_656 . ?
N3 Cu2 O4 89.38(16) . . ?
O4 Cu2 O4 180.0 2_656 . ?
C2 O1 Cu1 124.3(4) . . ?
F1 C1 F2 107.6(6) . . ?
F1 C1 F3 107.0(6) . . ?
F2 C1 F3 105.2(5) . . ?
F1 C1 C2 113.7(5) . . ?
F2 C1 C2 113.3(5) . . ?
F3 C1 C2 109.5(5) . . ?
O1 C2 C3 128.2(5) . . ?
O1 C2 C1 112.0(5) . . ?
C3 C2 C1 119.8(5) . . ?
O1 C2 Cu1 34.2(2) . . ?
C3 C2 Cu1 94.0(4) . . ?
C1 C2 Cu1 146.2(4) . . ?
C2 C3 C4 122.0(5) . . ?
C2 C3 Cu1 61.2(3) . . ?
C4 C3 Cu1 60.9(3) . . ?
O2 C4 C3 127.5(6) . . ?
O2 C4 C5 113.6(5) . . ?
C3 C4 C5 118.8(5) . . ?
O2 C4 Cu1 33.5(3) . . ?
C3 C4 Cu1 94.0(4) . . ?
C5 C4 Cu1 147.1(4) . . ?
F4 C5 F6 107.5(6) . . ?
F4 C5 F5 108.0(6) . . ?
F6 C5 F5 105.4(6) . . ?
F4 C5 C4 114.8(6) . . ?
F6 C5 C4 109.4(6) . . ?
F5 C5 C4 111.2(6) . . ?
C4 O2 Cu1 125.1(4) . . ?
O2 Cu1 O2 180.0 2 . ?
O2 Cu1 O1 92.75(17) 2 2 ?
O2 Cu1 O1 87.25(17) . 2 ?
O2 Cu1 O1 87.25(17) 2 . ?
O2 Cu1 O1 92.75(17) . . ?
O1 Cu1 O1 180.0 2 . ?
O2 Cu1 O01 81.82(16) 2 . ?
O2 Cu1 O01 98.18(16) . . ?
O1 Cu1 O01 85.93(15) 2 . ?
O1 Cu1 O01 94.07(15) . . ?
O2 Cu1 O01 98.18(16) 2 2 ?
O2 Cu1 O01 81.82(16) . 2 ?
O1 Cu1 O01 94.07(15) 2 2 ?
O1 Cu1 O01 85.93(15) . 2 ?
O01 Cu1 O01 180.0 . 2 ?
C7 O3 Cu2 129.8(3) . . ?
F9 C6 F8 105.5(5) . . ?
F9 C6 F7 106.8(5) . . ?
F8 C6 F7 106.2(5) . . ?
F9 C6 C7 115.3(5) . . ?
F8 C6 C7 110.9(5) . . ?
F7 C6 C7 111.6(5) . . ?
O3 C7 C8 129.2(5) . . ?
O3 C7 C6 113.3(5) . . ?
C8 C7 C6 117.5(5) . . ?
O3 C7 Cu2 30.7(2) . . ?
C8 C7 Cu2 98.8(4) . . ?
C6 C7 Cu2 143.2(4) . . ?
C7 C8 C9 123.8(5) . . ?
O4 C9 C8 129.5(5) . . ?
O4 C9 C10 115.9(5) . . ?
C8 C9 C10 114.6(5) . . ?
O4 C9 Cu2 40.4(3) . . ?
C8 C9 Cu2 89.4(3) . . ?
C10 C9 Cu2 155.8(4) . . ?
F10 C10 F12 107.7(5) . . ?
F10 C10 F11 107.9(5) . . ?
F12 C10 F11 106.6(5) . . ?
F10 C10 C9 112.4(5) . . ?
F12 C10 C9 111.1(5) . . ?
F11 C10 C9 110.8(5) . . ?
C9 O4 Cu2 119.3(4) . . ?
N1 O01 Cu1 138.0(3) . . ?
O01 N1 C07 125.3(4) . . ?
O01 N1 C01 121.4(4) . . ?
C07 N1 C01 113.0(5) . . ?
C03 C01 N1 106.9(5) . . ?
C03 C01 C02 112.0(5) . . ?
N1 C01 C02 106.7(4) . . ?
C03 C01 C04 115.1(5) . . ?
N1 C01 C04 100.2(4) . . ?
C02 C01 C04 114.5(5) . . ?
N2 C04 C05 106.9(5) . . ?
N2 C04 C06 107.4(4) . . ?
C05 C04 C06 110.4(5) . . ?
N2 C04 C01 101.4(4) . . ?
C05 C04 C01 115.4(5) . . ?
C06 C04 C01 114.4(5) . . ?
O02 N2 C07 124.7(5) . . ?
O02 N2 C04 121.6(4) . . ?
C07 N2 C04 113.0(4) . . ?
N2 C07 N1 108.6(5) . . ?
N2 C07 C08 126.1(5) . . ?
N1 C07 C08 125.2(5) . . ?
C010 C08 C09 104.5(5) . . ?
C010 C08 C07 128.0(5) . . ?
C09 C08 C07 127.3(5) . . ?
N3 C09 C08 110.1(5) . . ?
N3 C09 Cu2 36.1(2) . . ?
C08 C09 Cu2 145.9(4) . . ?
C09 N3 N4 105.7(4) . . ?
C09 N3 Cu2 121.4(4) . . ?
N4 N3 Cu2 132.7(3) . . ?
C010 N4 N3 111.0(4) . . ?
C010 N4 C041 127.0(5) . . ?
N3 N4 C041 121.8(4) . . ?
C010 N4 Cu2 139.5(3) . . ?
N3 N4 Cu2 28.7(2) . . ?
C041 N4 Cu2 93.5(3) . . ?
N4 C041 C042 112.5(5) . . ?
C041 C042 C043 112.2(5) . . ?
C044 C043 C042 113.2(5) . . ?
N4 C010 C08 108.7(5) . . ?
C1S C1S C2S 114.6(15) 2_565 . ?
C3S C2S C1S 116(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
Cu2 O3 1.939(4) . ?
Cu2 O3 1.939(4) 2_656 ?
Cu2 N3 2.064(4) 2_656 ?
Cu2 N3 2.064(4) . ?
Cu2 O4 2.311(4) 2_656 ?
Cu2 O4 2.311(4) . ?
O1 C2 1.268(6) . ?
O1 Cu1 1.946(4) . ?
C1 F1 1.276(7) . ?
C1 F2 1.315(7) . ?
C1 F3 1.322(7) . ?
C1 C2 1.532(8) . ?
C2 C3 1.369(7) . ?
C2 Cu1 2.859(5) . ?
C3 C4 1.385(8) . ?
C3 Cu1 3.255(6) . ?
C4 O2 1.269(6) . ?
C4 C5 1.508(9) . ?
C4 Cu1 2.850(6) . ?
C5 F4 1.309(7) . ?
C5 F6 1.315(8) . ?
C5 F5 1.331(8) . ?
O2 Cu1 1.924(4) . ?
Cu1 O2 1.924(4) 2 ?
Cu1 O1 1.946(4) 2 ?
Cu1 O01 2.422(4) . ?
Cu1 O01 2.422(4) 2 ?
O3 C7 1.264(6) . ?
C6 F9 1.315(7) . ?
C6 F8 1.323(7) . ?
C6 F7 1.331(7) . ?
C6 C7 1.507(8) . ?
C7 C8 1.364(7) . ?
C8 C9 1.413(7) . ?
C9 O4 1.240(6) . ?
C9 C10 1.548(8) . ?
C10 F10 1.311(7) . ?
C10 F12 1.329(7) . ?
C10 F11 1.349(6) . ?
O01 N1 1.292(5) . ?
N1 C07 1.337(6) . ?
N1 C01 1.518(7) . ?
C01 C03 1.497(8) . ?
C01 C02 1.532(7) . ?
C01 C04 1.559(8) . ?
C04 N2 1.495(6) . ?
C04 C05 1.539(8) . ?
C04 C06 1.541(7) . ?
N2 O02 1.293(5) . ?
N2 C07 1.337(6) . ?
C07 C08 1.436(7) . ?
C08 C010 1.388(7) . ?
C08 C09 1.413(7) . ?
C09 N3 1.345(6) . ?
N3 N4 1.375(6) . ?
N4 C010 1.321(6) . ?
N4 C041 1.457(7) . ?
C041 C042 1.513(7) . ?
C042 C043 1.521(8) . ?
C043 C044 1.508(8) . ?
C1S C1S 1.329(19) 2_565 ?
C1S C2S 1.524(16) . ?
C2S C3S 1.09(2) . ?
