#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:49:47 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179492 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/89/4338934.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_4338934
loop_
_publ_author_name
'Hirel, Catherine'
'Li, Licun'
'Brough, Peter'
'Vostrikova, Kira'
'Pécaut, Jacques'
'Mehdaoui, Boubker'
'Bernard, Maxime'
'Turek, Philippe'
'Rey, Paul'
_publ_section_title
;
 New spin-transition-like copper(II)-nitroxide species.
;
_journal_issue                   18
_journal_name_full               'Inorganic chemistry'
_journal_page_first              7545
_journal_page_last               7552
_journal_paper_doi               10.1021/ic700851x
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C24 H22 Cu F12 N3 O6'
_chemical_formula_weight         739.99
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.516(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.797(2)
_cell_length_b                   12.5865(19)
_cell_length_c                   15.829(2)
_cell_measurement_temperature    298(2)
_cell_volume                     3032.6(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_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      298(2)
_diffrn_measured_fraction_theta_full 0.909
_diffrn_measured_fraction_theta_max 0.909
_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  0.0773
_diffrn_reflns_av_sigmaI/netI    0.1444
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            19312
_diffrn_reflns_theta_full        28.94
_diffrn_reflns_theta_max         28.94
_diffrn_reflns_theta_min         2.10
_exptl_absorpt_coefficient_mu    0.836
_exptl_absorpt_correction_T_max  0.808
_exptl_absorpt_correction_T_min  0.660
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.621
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1488
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.631
_refine_diff_density_min         -0.578
_refine_diff_density_rms         0.163
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.879
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     499
_refine_ls_number_reflns         7306
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.879
_refine_ls_R_factor_all          0.1601
_refine_ls_R_factor_gt           0.0511
_refine_ls_shift/su_max          0.052
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0718P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1119
_refine_ls_wR_factor_ref         0.1538
_reflns_number_gt                2987
_reflns_number_total             7306
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic700851x-file001.cif
_cod_data_source_block           13enan.cif
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        3032.6(8)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4338934
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
Cu Cu 0.32164(3) -0.04410(4) 0.90896(3) 0.04104(18) Uani 1 1 d .
F1A F 0.2547(17) -0.3910(8) 0.9153(10) 0.125(7) Uani 0.68(4) 1 d P
F1B F 0.323(3) -0.399(2) 0.868(5) 0.23(3) Uani 0.32(4) 1 d P
F2A F 0.3077(18) -0.3987(9) 0.808(2) 0.180(12) Uani 0.68(4) 1 d P
F2B F 0.225(4) -0.4111(17) 0.7631(13) 0.125(16) Uani 0.32(4) 1 d P
F3A F 0.1685(11) -0.4091(8) 0.7936(18) 0.154(9) Uani 0.68(4) 1 d P
F3B F 0.196(4) -0.396(2) 0.879(4) 0.165(17) Uani 0.32(4) 1 d P
F4A F 0.0667(11) -0.0631(17) 0.6141(7) 0.151(6) Uani 0.67(3) 1 d P
F4B F 0.0567(15) 0.021(5) 0.650(4) 0.17(2) Uani 0.33(3) 1 d P
F5A F 0.0561(9) 0.0527(13) 0.7037(14) 0.135(8) Uani 0.67(3) 1 d P
F5B F 0.020(2) -0.009(5) 0.7601(17) 0.178(17) Uani 0.33(3) 1 d P
F6A F 0.0012(9) -0.1010(17) 0.7099(16) 0.156(12) Uani 0.67(3) 1 d P
F6B F 0.015(3) -0.123(3) 0.656(4) 0.21(3) Uani 0.33(3) 1 d P
F11A F 0.3849(16) -0.3749(7) 1.1000(11) 0.123(6) Uani 0.68(2) 1 d P
F11B F 0.3491(14) -0.358(3) 1.147(4) 0.137(14) Uani 0.32(2) 1 d P
F12A F 0.4011(10) -0.2737(13) 1.2113(7) 0.112(6) Uani 0.68(2) 1 d P
F12B F 0.451(5) -0.2653(17) 1.199(3) 0.21(2) Uani 0.32(2) 1 d P
F13A F 0.4930(5) -0.2734(14) 1.1391(10) 0.103(5) Uani 0.68(2) 1 d P
F13B F 0.447(5) -0.342(4) 1.086(4) 0.21(3) Uani 0.32(2) 1 d P
F14 F 0.0956(3) -0.1028(9) 1.0787(4) 0.285(6) Uani 1 1 d .
F15 F 0.0627(2) -0.0691(4) 0.9547(4) 0.172(2) Uani 1 1 d .
F16 F 0.0829(3) -0.2186(4) 0.9959(8) 0.291(6) Uani 1 1 d .
O1 O 0.35045(17) 0.1055(2) 0.94029(18) 0.0434(7) Uani 1 1 d .
O2 O 0.32876(19) 0.2538(3) 1.1992(2) 0.0728(10) Uani 1 1 d .
O3 O 0.30652(19) -0.1955(2) 0.87214(19) 0.0538(8) Uani 1 1 d .
O4 O 0.21091(19) -0.0157(2) 0.7805(2) 0.0609(9) Uani 1 1 d .
O5 O 0.39872(18) -0.1316(2) 1.04188(19) 0.0524(8) Uani 1 1 d .
O6 O 0.22649(19) -0.0458(2) 0.9665(2) 0.0584(8) Uani 1 1 d .
N1 N 0.3188(2) 0.1589(3) 0.9959(2) 0.0419(8) Uani 1 1 d .
N2 N 0.3073(2) 0.2282(3) 1.1187(3) 0.0521(10) Uani 1 1 d .
N3 N 0.57383(19) 0.0368(2) 1.1388(2) 0.0375(8) Uani 1 1 d .
C1 C 0.3526(3) 0.1595(3) 1.0826(3) 0.0427(10) Uani 1 1 d .
C2 C 0.2516(3) 0.2444(4) 0.9654(3) 0.0552(12) Uani 1 1 d .
C3 C 0.2266(3) 0.2661(4) 1.0526(3) 0.0584(13) Uani 1 1 d .
C4 C 0.1777(3) 0.2052(4) 0.8894(3) 0.0801(17) Uani 1 1 d .
H4A H 0.1996 0.1939 0.8391 0.120 Uiso 1 1 calc R
H4B H 0.1316 0.2573 0.8757 0.120 Uiso 1 1 calc R
H4C H 0.1550 0.1396 0.9054 0.120 Uiso 1 1 calc R
C5 C 0.2998(4) 0.3346(4) 0.9326(4) 0.0848(17) Uani 1 1 d .
H5A H 0.3112 0.3113 0.8782 0.102 Uiso 1 1 calc R
H5B H 0.2599 0.3946 0.9184 0.102 Uiso 1 1 calc R
C6 C 0.3848(5) 0.3739(4) 0.9916(5) 0.125(3) Uani 1 1 d .
H6A H 0.4077 0.4296 0.9627 0.187 Uiso 1 1 calc R
H6B H 0.4262 0.3165 1.0051 0.187 Uiso 1 1 calc R
H6C H 0.3747 0.4008 1.0449 0.187 Uiso 1 1 calc R
C7 C 0.2083(4) 0.3824(4) 1.0702(4) 0.099(2) Uani 1 1 d .
H7A H 0.1936 0.3877 1.1251 0.148 Uiso 1 1 calc R
H7B H 0.1602 0.4081 1.0239 0.148 Uiso 1 1 calc R
H7C H 0.2597 0.4243 1.0726 0.148 Uiso 1 1 calc R
C8 C 0.1529(3) 0.1929(5) 1.0635(4) 0.0837(18) Uani 1 1 d .
H8A H 0.0986 0.2163 1.0228 0.100 Uiso 1 1 calc R
H8B H 0.1650 0.1220 1.0458 0.100 Uiso 1 1 calc R
C9 C 0.1373(4) 0.1851(7) 1.1513(5) 0.141(3) Uani 1 1 d .
H9A H 0.0896 0.1368 1.1491 0.212 Uiso 1 1 calc R
H9B H 0.1226 0.2539 1.1694 0.212 Uiso 1 1 calc R
H9C H 0.1894 0.1593 1.1926 0.212 Uiso 1 1 calc R
C10 C 0.4283(2) 0.0973(3) 1.1297(3) 0.0389(10) Uani 1 1 d .
C14 C 0.5030(3) 0.0946(3) 1.1001(3) 0.0399(10) Uani 1 1 d .
H14 H 0.5041 0.1348 1.0511 0.048 Uiso 1 1 calc R
C13 C 0.5716(3) -0.0220(3) 1.2082(3) 0.0448(11) Uani 1 1 d .
H13 H 0.6199 -0.0640 1.2343 0.054 Uiso 1 1 calc R
C12 C 0.5000(3) -0.0225(3) 1.2424(3) 0.0532(12) Uani 1 1 d .
H12 H 0.5003 -0.0644 1.2909 0.064 Uiso 1 1 calc R
C11 C 0.4284(3) 0.0392(3) 1.2044(3) 0.0482(11) Uani 1 1 d .
H11 H 0.3806 0.0421 1.2282 0.058 Uiso 1 1 calc R
C21 C 0.2453(7) -0.3623(5) 0.8333(6) 0.088(2) Uani 1 1 d .
C22 C 0.2395(3) -0.2405(4) 0.8262(3) 0.0590(13) Uani 1 1 d .
C23 C 0.1649(3) -0.1947(4) 0.7727(3) 0.0767(16) Uani 1 1 d .
H23 H 0.1180 -0.2389 0.7464 0.092 Uiso 1 1 calc R
C24 C 0.1559(3) -0.0862(4) 0.7560(3) 0.0638(14) Uani 1 1 d .
C25 C 0.0657(4) -0.0483(9) 0.6991(6) 0.103(2) Uani 1 1 d .
C31 C 0.4081(4) -0.2832(5) 1.1307(5) 0.0720(15) Uani 1 1 d .
C32 C 0.3555(3) -0.1929(4) 1.0736(3) 0.0510(12) Uani 1 1 d .
C33 C 0.2644(3) -0.1935(4) 1.0633(3) 0.0620(13) Uani 1 1 d .
H33 H 0.2407 -0.2453 1.0921 0.074 Uiso 1 1 calc R
C34 C 0.2094(3) -0.1210(4) 1.0127(3) 0.0578(13) Uani 1 1 d .
C35 C 0.1122(4) -0.1269(7) 1.0081(7) 0.109(3) 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'
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
O6 Cu O1 92.73(12) . .
O6 Cu O3 94.55(13) . .
O1 Cu O3 172.64(12) . .
O6 Cu N3 174.41(13) . 3_657
O1 Cu N3 83.82(12) . 3_657
O3 Cu N3 88.84(12) . 3_657
O6 Cu O4 85.24(12) . .
O1 Cu O4 98.19(11) . .
O3 Cu O4 83.55(12) . .
N3 Cu O4 99.58(12) 3_657 .
O6 Cu O5 81.93(11) . .
O1 Cu O5 100.92(11) . .
O3 Cu O5 79.04(11) . .
N3 Cu O5 94.38(12) 3_657 .
O4 Cu O5 157.41(11) . .
F3B F1A C21 66(2) . .
F3B F1A F1B 115(4) . .
C21 F1A F1B 54.8(17) . .
F2A F1B C21 66(2) . .
F2A F1B F1A 120(4) . .
C21 F1B F1A 57(2) . .
F1B F2A C21 71(3) . .
F1B F2A F2B 120(4) . .
C21 F2A F2B 57.6(11) . .
F3A F2B C21 69.2(16) . .
F3A F2B F2A 124(2) . .
C21 F2B F2A 58.5(14) . .
F2B F3A F3B 111(2) . .
F2B F3A C21 59.1(14) . .
F3B F3A C21 57.0(16) . .
F1A F3B C21 71(3) . .
F1A F3B F3A 129(5) . .
C21 F3B F3A 63(2) . .
F4B F4A C25 52.3(15) . .
F4B F4A F6B 95(2) . .
C25 F4A F6B 56.3(19) . .
F5A F4B C25 75(3) . .
F5A F4B F4A 145(3) . .
C25 F4B F4A 70(3) . .
F4B F5A C25 60(2) . .
F4B F5A F5B 116(3) . .
C25 F5A F5B 64.5(18) . .
F6A F5B F5A 98.9(18) . .
F6A F5B C25 52.9(12) . .
F5A F5B C25 53.5(12) . .
F6B F6A C25 70(2) . .
F6B F6A F5B 132(3) . .
C25 F6A F5B 65.5(16) . .
F6A F6B C25 66(3) . .
F6A F6B F4A 124(4) . .
C25 F6B F4A 60.4(19) . .
F11B F11A F13B 135(3) . .
F11B F11A C31 73.1(17) . .
F13B F11A C31 64(2) . .
F11A F11B C31 60.2(12) . .
F11A F11B F12A 108(2) . .
C31 F11B F12A 52.6(14) . .
F12B F12A C31 59(2) . .
F12B F12A F11B 107(2) . .
C31 F12A F11B 57.7(13) . .
F12A F12B C31 80(3) . .
F12A F12B F13A 145(3) . .
C31 F12B F13A 65(3) . .
F13B F13A F12B 102.7(18) . .
F13B F13A C31 59.2(16) . .
F12B F13A C31 51.7(14) . .
F11A F13B F13A 119(3) . .
F11A F13B C31 62.8(15) . .
F13A F13B C31 62(3) . .
N1 O1 Cu 123.8(2) . .
C22 O3 Cu 128.4(3) . .
C24 O4 Cu 117.8(3) . .
C32 O5 Cu 116.2(3) . .
C34 O6 Cu 125.8(3) . .
O1 N1 C1 125.1(3) . .
O1 N1 C2 121.2(3) . .
C1 N1 C2 112.5(3) . .
O2 N2 C1 124.1(3) . .
O2 N2 C3 124.7(3) . .
C1 N2 C3 111.1(4) . .
C13 N3 C14 118.5(4) . .
C13 N3 Cu 123.1(3) . 3_657
C14 N3 Cu 118.5(3) . 3_657
N1 C1 N2 109.2(4) . .
N1 C1 C10 124.9(4) . .
N2 C1 C10 125.8(4) . .
N1 C2 C4 110.5(4) . .
N1 C2 C5 105.5(4) . .
C4 C2 C5 108.6(4) . .
N1 C2 C3 99.6(3) . .
C4 C2 C3 115.8(4) . .
C5 C2 C3 115.9(4) . .
N2 C3 C8 105.2(4) . .
N2 C3 C7 110.2(4) . .
C8 C3 C7 111.6(4) . .
N2 C3 C2 101.1(3) . .
C8 C3 C2 112.0(4) . .
C7 C3 C2 115.7(4) . .
C6 C5 C2 118.4(5) . .
C9 C8 C3 118.0(5) . .
C14 C10 C11 118.0(4) . .
C14 C10 C1 119.9(4) . .
C11 C10 C1 122.1(4) . .
N3 C14 C10 122.9(4) . .
N3 C13 C12 122.2(4) . .
C11 C12 C13 119.4(4) . .
C12 C11 C10 119.0(4) . .
F2B C21 F2A 63.9(18) . .
F2B C21 F3B 107.2(19) . .
F2A C21 F3B 136.0(16) . .
F2B C21 F1B 101(3) . .
F2A C21 F1B 43(3) . .
F3B C21 F1B 107(3) . .
F2B C21 F1A 133.2(14) . .
F2A C21 F1A 109.1(14) . .
F3B C21 F1A 43(2) . .
F1B C21 F1A 68(3) . .
F2B C21 F3A 51.8(17) . .
F2A C21 F3A 112.5(14) . .
F3B C21 F3A 60(2) . .
F1B C21 F3A 133.0(14) . .
F1A C21 F3A 100.9(13) . .
F2B C21 C22 115.8(12) . .
F2A C21 C22 112.3(9) . .
F3B C21 C22 110.0(14) . .
F1B C21 C22 114.7(13) . .
F1A C21 C22 109.5(8) . .
F3A C21 C22 111.9(8) . .
O3 C22 C23 128.4(5) . .
O3 C22 C21 112.6(5) . .
C23 C22 C21 119.0(5) . .
C22 C23 C24 123.5(5) . .
O4 C24 C23 128.4(4) . .
O4 C24 C25 115.1(6) . .
C23 C24 C25 116.5(6) . .
F4B C25 F6A 122.0(14) . .
F4B C25 F5A 45(4) . .
F6A C25 F5A 113.6(15) . .
F4B C25 F6B 104(3) . .
F6A C25 F6B 45(3) . .
F5A C25 F6B 132.7(19) . .
F4B C25 F4A 58(4) . .
F6A C25 F4A 106.5(13) . .
F5A C25 F4A 102.9(10) . .
F6B C25 F4A 63(3) . .
F4B C25 F5B 101(3) . .
F6A C25 F5B 61.7(18) . .
F5A C25 F5B 62(2) . .
F6B C25 F5B 105(2) . .
F4A C25 F5B 148.1(10) . .
F4B C25 C24 123.8(12) . .
F6A C25 C24 114.2(10) . .
F5A C25 C24 112.2(9) . .
F6B C25 C24 115(2) . .
F4A C25 C24 106.3(9) . .
F5B C25 C24 105.5(10) . .
F12B C31 F11A 125.6(13) . .
F12B C31 F13B 112(2) . .
F11A C31 F13B 53(3) . .
F12B C31 F12A 41(4) . .
F11A C31 F12A 111.4(11) . .
F13B C31 F12A 139.2(17) . .
F12B C31 F13A 63(4) . .
F11A C31 F13A 107.8(9) . .
F13B C31 F13A 59(4) . .
F12A C31 F13A 103.9(9) . .
F12B C31 F11B 103(3) . .
F11A C31 F11B 46.7(15) . .
F13B C31 F11B 98(2) . .
F12A C31 F11B 70(2) . .
F13A C31 F11B 139.0(9) . .
F12B C31 C32 120.2(13) . .
F11A C31 C32 112.9(6) . .
F13B C31 C32 111.5(16) . .
F12A C31 C32 109.2(7) . .
F13A C31 C32 111.3(7) . .
F11B C31 C32 108.8(9) . .
O5 C32 C33 128.5(4) . .
O5 C32 C31 115.5(5) . .
C33 C32 C31 116.0(5) . .
C34 C33 C32 122.5(4) . .
O6 C34 C33 129.6(4) . .
O6 C34 C35 112.2(5) . .
C33 C34 C35 118.2(5) . .
F15 C35 F16 107.6(9) . .
F15 C35 F14 103.0(8) . .
F16 C35 F14 101.8(7) . .
F15 C35 C34 117.1(5) . .
F16 C35 C34 112.6(7) . .
F14 C35 C34 113.4(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu O6 1.955(3) .
Cu O1 1.969(3) .
Cu O3 1.989(3) .
Cu N3 1.994(3) 3_657
Cu O4 2.328(3) .
Cu O5 2.398(3) .
F1A F3B 0.96(4) .
F1A C21 1.317(17) .
F1A F1B 1.46(7) .
F1B F2A 0.92(6) .
F1B C21 1.29(3) .
F2A C21 1.247(15) .
F2A F2B 1.31(3) .
F2B F3A 1.13(3) .
F2B C21 1.233(18) .
F3A F3B 1.31(4) .
F3A C21 1.344(14) .
F3B C21 1.27(3) .
F4A F4B 1.23(7) .
F4A C25 1.363(15) .
F4A F6B 1.40(6) .
F4B F5A 0.94(7) .
F4B C25 1.15(2) .
F5A C25 1.285(15) .
F5A F5B 1.41(4) .
F5B F6A 1.40(4) .
F5B C25 1.44(3) .
F6A F6B 0.98(6) .
F6A C25 1.265(14) .
F6B C25 1.30(3) .
F11A F11B 1.06(3) .
F11A F13B 1.14(5) .
F11A C31 1.268(10) .
F11B C31 1.40(2) .
F11B F12A 1.55(4) .
F12A F12B 0.87(9) .
F12A C31 1.314(12) .
F12B C31 1.14(2) .
F12B F13A 1.30(8) .
F13A F13B 1.29(8) .
F13A C31 1.318(11) .
F13B C31 1.29(3) .
F14 C35 1.252(10) .
F15 C35 1.225(7) .
F16 C35 1.240(8) .
O1 N1 1.308(4) .
O2 N2 1.270(4) .
O3 C22 1.247(5) .
O4 C24 1.229(5) .
O5 C32 1.224(5) .
O6 C34 1.268(5) .
N1 C1 1.333(5) .
N1 C2 1.498(5) .
N2 C1 1.344(5) .
N2 C3 1.494(5) .
N3 C13 1.332(5) .
N3 C14 1.339(5) .
N3 Cu 1.994(3) 3_657
C1 C10 1.456(5) .
C2 C4 1.517(6) .
C2 C5 1.533(7) .
C2 C3 1.559(6) .
C3 C8 1.531(7) .
C3 C7 1.532(6) .
C5 C6 1.500(8) .
C8 C9 1.478(8) .
C10 C14 1.381(5) .
C10 C11 1.390(6) .
C13 C12 1.379(6) .
C12 C11 1.372(6) .
C21 C22 1.539(7) .
C22 C23 1.380(6) .
C23 C24 1.391(7) .
C24 C25 1.544(8) .
C31 C32 1.548(6) .
C32 C33 1.404(6) .
C33 C34 1.363(6) .
C34 C35 1.518(7) .
