#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/62/4306207.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_4306207
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                99.104(3)
_cell_angle_beta                 112.136(3)
_cell_angle_gamma                96.197(3)
_cell_formula_units_Z            2
_cell_length_a                   10.586(2)
_cell_length_b                   13.237(3)
_cell_length_c                   13.663(3)
_cell_measurement_temperature    240(2)
_cell_volume                     1721.5(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      240(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0427
_diffrn_reflns_av_sigmaI/netI    0.0561
_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       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            17096
_diffrn_reflns_theta_full        26.42
_diffrn_reflns_theta_max         26.42
_diffrn_reflns_theta_min         2.02
_exptl_absorpt_coefficient_mu    0.782
_exptl_crystal_density_diffrn    1.550
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             814
_refine_diff_density_max         0.471
_refine_diff_density_min         -0.525
_refine_diff_density_rms         0.067
_refine_ls_extinction_coef       0.0000(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.828
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     620
_refine_ls_number_reflns         7026
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      0.831
_refine_ls_R_factor_all          0.0806
_refine_ls_R_factor_gt           0.0620
_refine_ls_shift/su_max          0.921
_refine_ls_shift/su_mean         0.009
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1200P)²+3.2738P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1699
_refine_ls_wR_factor_ref         0.1871
_reflns_number_gt                5601
_reflns_number_total             7026
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8011074_si_001_07.cif
_cod_data_source_block           Bu_cl240s
_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_cell_volume        1721.5(7)
_cod_original_formula_sum        'C26 H29.50 Cl0.50 Cu F12 N4 O6'
_cod_database_code               4306207
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 0.03780(16) Uani 1 2 d S . .
O1 O 0.1145(2) -0.0829(2) 0.4450(2) 0.0452(6) Uani 1 1 d . . .
C1 C 0.2630(5) -0.1258(4) 0.3630(4) 0.0662(12) Uani 1 1 d . . .
F1 F 0.1608(11) -0.1822(10) 0.2758(10) 0.114(4) Uani 0.50 1 d P . .
F2 F 0.3062(13) -0.1957(10) 0.4208(10) 0.122(4) Uani 0.50 1 d P . .
F3 F 0.3601(13) -0.0938(10) 0.3356(13) 0.148(4) Uani 0.50 1 d P . .
F1A F 0.2004(17) -0.1361(14) 0.2618(10) 0.163(7) Uani 0.50 1 d P . .
F2A F 0.2582(16) -0.2109(8) 0.3899(15) 0.145(6) Uani 0.50 1 d P . .
F3A F 0.3898(9) -0.0952(10) 0.3793(13) 0.132(6) Uani 0.50 1 d P . .
C2 C 0.2101(4) -0.0449(3) 0.4223(3) 0.0460(8) Uani 1 1 d . . .
C3 C 0.2705(4) 0.0581(3) 0.4443(4) 0.0560(10) Uani 1 1 d . . .
H3A H 0.3432 0.0756 0.4229 0.067 Uiso 1 1 calc R . .
C4 C 0.2282(4) 0.1359(3) 0.4964(3) 0.0462(9) Uani 1 1 d . . .
C5 C 0.3038(5) 0.2470(4) 0.5199(4) 0.0671(12) Uani 1 1 d . . .
F4 F 0.4130(11) 0.2568(9) 0.4945(12) 0.108(4) Uani 0.50 1 d P . .
F5 F 0.3645(10) 0.2903(7) 0.6347(7) 0.082(2) Uani 0.50 1 d P . .
F6 F 0.2191(16) 0.3023(10) 0.4655(15) 0.149(7) Uani 0.50 1 d P . .
F4A F 0.361(2) 0.2800(13) 0.6059(11) 0.201(8) Uani 0.50 1 d P . .
F5A F 0.2199(15) 0.3099(9) 0.4940(15) 0.117(5) Uani 0.50 1 d P . .
F6A F 0.3823(13) 0.2577(10) 0.4704(10) 0.103(4) Uani 0.50 1 d P . .
O2 O 0.1325(3) 0.1285(2) 0.5291(2) 0.0467(6) Uani 1 1 d . . .
Cu2 Cu -0.5000 -0.5000 0.0000 0.04472(17) Uani 1 2 d S . .
O3 O -0.6582(3) -0.43557(19) -0.0068(2) 0.0446(6) Uani 1 1 d . . .
C6 C -0.8224(5) -0.3640(4) 0.0419(4) 0.0593(11) Uani 1 1 d . . .
F7 F -0.9142(13) -0.3860(11) -0.0594(9) 0.107(4) Uani 0.50 1 d P . .
F8 F -0.7746(13) -0.2629(9) 0.0631(11) 0.096(4) Uani 0.50 1 d P . .
F9 F -0.8945(11) -0.3730(11) 0.1002(12) 0.110(4) Uani 0.50 1 d P . .
F7A F -0.7831(14) -0.2751(8) 0.0301(12) 0.093(3) Uani 0.50 1 d P . .
F8A F -0.8724(13) -0.3542(11) 0.1153(9) 0.105(4) Uani 0.50 1 d P . .
F9A F -0.9217(11) -0.4155(12) -0.0453(13) 0.132(6) Uani 0.50 1 d P . .
C7 C -0.7050(4) -0.4262(3) 0.0653(3) 0.0467(9) Uani 1 1 d . . .
C8 C -0.6617(5) -0.4628(3) 0.1592(4) 0.0600(11) Uani 1 1 d . . .
H8A H -0.7040 -0.4474 0.2078 0.072 Uiso 1 1 calc R . .
C9 C -0.5577(4) -0.5217(3) 0.1847(3) 0.0509(9) Uani 1 1 d . . .
C10 C -0.5211(6) -0.5604(4) 0.2898(4) 0.0731(13) Uani 1 1 d . . .
F10 F -0.5275(14) -0.4909(9) 0.3657(9) 0.090(4) Uani 0.50 1 d P . .
F11 F -0.6220(13) -0.6477(11) 0.2672(13) 0.114(4) Uani 0.50 1 d P . .
F12 F -0.4058(14) -0.5932(11) 0.3232(10) 0.108(3) Uani 0.50 1 d P . .
F10A F -0.5588(16) -0.5123(11) 0.3608(11) 0.119(4) Uani 0.50 1 d P . .
F11A F -0.5674(16) -0.6520(9) 0.2784(11) 0.112(5) Uani 0.50 1 d P . .
F12A F -0.3852(16) -0.5517(13) 0.3362(13) 0.141(6) Uani 0.50 1 d P . .
O4 O -0.4895(3) -0.54892(19) 0.1312(2) 0.0483(6) Uani 1 1 d . . .
O01 O -0.0903(3) 0.0184(2) 0.3238(2) 0.0506(6) Uani 1 1 d . . .
N1 N -0.2175(3) 0.0275(2) 0.2703(3) 0.0445(7) Uani 1 1 d . . .
C01 C -0.2566(4) 0.1310(3) 0.2536(3) 0.0491(9) Uani 1 1 d . . .
C02 C -0.2075(5) 0.1596(4) 0.1679(4) 0.0691(12) Uani 1 1 d . . .
H02A H -0.1070 0.1771 0.1988 0.104 Uiso 1 1 calc R . .
H02B H -0.2461 0.2189 0.1438 0.104 Uiso 1 1 calc R . .
H02C H -0.2384 0.1009 0.1069 0.104 Uiso 1 1 calc R . .
C03 C -0.1859(5) 0.2124(3) 0.3585(4) 0.0623(11) Uani 1 1 d . . .
H03A H -0.0866 0.2254 0.3781 0.093 Uiso 1 1 calc R . .
H03B H -0.2049 0.1875 0.4155 0.093 Uiso 1 1 calc R . .
H03C H -0.2210 0.2765 0.3490 0.093 Uiso 1 1 calc R . .
C04 C -0.4157(4) 0.1017(3) 0.2116(3) 0.0493(9) Uani 1 1 d . . .
C05 C -0.4980(5) 0.1543(4) 0.1235(4) 0.0679(12) Uani 1 1 d . . .
H05A H -0.5964 0.1309 0.1026 0.102 Uiso 1 1 calc R . .
H05B H -0.4754 0.1364 0.0611 0.102 Uiso 1 1 calc R . .
H05C H -0.4749 0.2291 0.1502 0.102 Uiso 1 1 calc R . .
C06 C -0.4696(5) 0.1104(3) 0.3008(4) 0.0606(11) Uani 1 1 d . . .
H06A H -0.5700 0.0910 0.2687 0.091 Uiso 1 1 calc R . .
H06B H -0.4428 0.1815 0.3423 0.091 Uiso 1 1 calc R . .
H06C H -0.4305 0.0642 0.3481 0.091 Uiso 1 1 calc R . .
N2 N -0.4385(3) -0.0128(2) 0.1654(3) 0.0471(7) Uani 1 1 d . . .
O02 O -0.5566(3) -0.0666(2) 0.1048(2) 0.0591(7) Uani 1 1 d . . .
C07 C -0.3202(4) -0.0513(3) 0.2091(3) 0.0415(8) Uani 1 1 d . . .
C08 C -0.3089(3) -0.1587(3) 0.1889(3) 0.0401(7) Uani 1 1 d . . .
C09 C -0.4117(4) -0.2440(3) 0.1210(3) 0.0441(8) Uani 1 1 d . . .
H09A H -0.5045 -0.2401 0.0807 0.053 Uiso 1 1 calc R . .
N3 N -0.3603(3) -0.3309(2) 0.1213(3) 0.0462(7) Uani 1 1 d . . .
H3B H -0.4046 -0.3933 0.0853 0.055 Uiso 1 1 calc R . .
N4 N -0.2250(3) -0.3026(2) 0.1892(3) 0.0485(8) Uani 1 1 d . . .
C041 C -0.1340(5) -0.3790(4) 0.2110(4) 0.0643(12) Uani 1 1 d . . .
H04A H -0.1844 -0.4460 0.1619 0.077 Uiso 1 1 calc R . .
H04B H -0.0542 -0.3572 0.1945 0.077 Uiso 1 1 calc R . .
C042 C -0.0850(10) -0.3934(7) 0.3180(6) 0.147(3) Uani 1 1 d D . .
H04C H -0.1626 -0.3996 0.3405 0.176 Uiso 1 1 calc R . .
H04D H -0.0168 -0.3319 0.3657 0.176 Uiso 1 1 calc R . .
C043 C -0.0151(13) -0.4941(11) 0.3324(9) 0.176(5) Uani 1 1 d D . .
H04E H -0.0596 -0.5639 0.3155 0.211 Uiso 1 1 calc R . .
C044 C 0.1102(15) -0.4598(9) 0.3705(16) 0.255(9) Uani 1 1 d D . .
H04F H 0.1607 -0.5168 0.3812 0.382 Uiso 1 1 calc R . .
H04G H 0.1363 -0.4120 0.4394 0.382 Uiso 1 1 calc R . .
H04H H 0.1323 -0.4234 0.3211 0.382 Uiso 1 1 calc R . .
C010 C -0.1904(4) -0.2014(3) 0.2303(3) 0.0472(9) Uani 1 1 d . . .
H01A H -0.1018 -0.1649 0.2788 0.057 Uiso 1 1 calc R . .
Cl1A Cl -1.1334(15) -0.169(2) -0.133(2) 0.304(13) Uani 0.25 1 d PD . .
C1A C -1.059(5) -0.109(3) 0.000(2) 0.26(4) Uani 0.25 1 d PD . .
C2A C -1.0000 0.0000 0.0000 0.27(5) Uani 0.50 2 d SPD . .
C3A C -1.052(6) 0.025(6) -0.100(4) 0.38(6) Uani 0.25 1 d PD . .
C4A C -0.935(5) 0.118(4) -0.047(3) 0.15(2) Uani 0.25 1 d PD . .
Cl1B Cl -1.1385(12) -0.2132(14) -0.0128(11) 0.177(6) Uani 0.25 1 d PD . .
C1B C -1.080(5) -0.113(2) -0.059(3) 0.38(8) Uani 0.25 1 d PD . .
C2B C -1.0000 0.0000 0.0000 0.29(7) Uani 0.50 2 d SPD . .
C3B C -0.902(4) 0.064(4) -0.027(4) 0.18(3) Uani 0.25 1 d PD . .
C4B C -0.940(9) 0.151(6) 0.035(5) 0.41(3) Uani 0.25 1 d PD . .
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
O2 Cu1 O2 180.0 . 2_556 ?
O2 Cu1 O1 89.49(10) . 2_556 ?
O2 Cu1 O1 90.51(11) 2_556 2_556 ?
O2 Cu1 O1 90.51(10) . . ?
O2 Cu1 O1 89.49(11) 2_556 . ?
O1 Cu1 O1 180.0 2_556 . ?
O2 Cu1 O01 93.82(10) . 2_556 ?
O2 Cu1 O01 86.18(10) 2_556 2_556 ?
O1 Cu1 O01 81.46(10) 2_556 2_556 ?
O1 Cu1 O01 98.54(10) . 2_556 ?
O2 Cu1 O01 86.18(10) . . ?
O2 Cu1 O01 93.82(10) 2_556 . ?
O1 Cu1 O01 98.54(10) 2_556 . ?
O1 Cu1 O01 81.46(10) . . ?
O01 Cu1 O01 180.0 2_556 . ?
C2 O1 Cu1 124.3(3) . . ?
F2A C1 F1A 111.5(12) . . ?
F2A C1 F3 119.5(10) . . ?
F1A C1 F3 77.4(10) . . ?
F2A C1 F3A 106.1(10) . . ?
F1A C1 F3A 102.7(12) . . ?
F3 C1 F3A 25.5(12) . . ?
F2A C1 F1 80.0(10) . . ?
F1A C1 F1 35.8(10) . . ?
F3 C1 F1 107.7(9) . . ?
F3A C1 F1 129.5(9) . . ?
F2A C1 F2 23.0(10) . . ?
F1A C1 F2 130.2(10) . . ?
F3 C1 F2 106.8(10) . . ?
F3A C1 F2 87.5(10) . . ?
F1 C1 F2 102.3(9) . . ?
F2A C1 C2 114.0(8) . . ?
F1A C1 C2 110.3(8) . . ?
F3 C1 C2 117.8(7) . . ?
F3A C1 C2 111.7(7) . . ?
F1 C1 C2 110.6(7) . . ?
F2 C1 C2 110.5(7) . . ?
F1A F1 C1 68.8(14) . . ?
F1A F1 F2A 111.7(17) . . ?
C1 F1 F2A 48.1(6) . . ?
F2A F2 C1 70(2) . . ?
F3A F3 C1 78(2) . . ?
F3A F3 F1A 128(2) . . ?
C1 F3 F1A 51.0(7) . . ?
F1 F1A C1 75.4(16) . . ?
F1 F1A F3 119(2) . . ?
C1 F1A F3 51.6(7) . . ?
F2 F2A C1 87(2) . . ?
F2 F2A F1 137(3) . . ?
C1 F2A F1 51.9(8) . . ?
F3 F3A C1 76.4(18) . . ?
O1 C2 C3 128.2(4) . . ?
O1 C2 C1 113.4(4) . . ?
C3 C2 C1 118.4(4) . . ?
C4 C3 C2 122.1(4) . . ?
O2 C4 C3 128.3(4) . . ?
O2 C4 C5 113.4(4) . . ?
C3 C4 C5 118.3(4) . . ?
F4A C5 F6A 110.3(12) . . ?
F4A C5 F5A 100.6(14) . . ?
F6A C5 F5A 106.6(11) . . ?
F4A C5 F6 115.7(15) . . ?
F6A C5 F6 93.2(11) . . ?
F5A C5 F6 17.0(15) . . ?
F4A C5 F4 96.1(13) . . ?
F6A C5 F4 16.1(11) . . ?
F5A C5 F4 118.1(10) . . ?
F6 C5 F4 106.8(11) . . ?
F4A C5 F5 6.3(14) . . ?
F6A C5 F5 116.3(8) . . ?
F5A C5 F5 96.7(10) . . ?
F6 C5 F5 112.5(10) . . ?
F4 C5 F5 102.3(8) . . ?
F4A C5 C4 113.0(10) . . ?
F6A C5 C4 113.5(7) . . ?
F5A C5 C4 111.9(7) . . ?
F6 C5 C4 109.7(7) . . ?
F4 C5 C4 115.0(7) . . ?
F5 C5 C4 110.4(6) . . ?
C4 O2 Cu1 124.9(2) . . ?
O3 Cu2 O3 180.0 . 2_445 ?
O3 Cu2 O4 92.22(11) . . ?
O3 Cu2 O4 87.78(11) 2_445 . ?
O3 Cu2 O4 87.78(11) . 2_445 ?
O3 Cu2 O4 92.22(11) 2_445 2_445 ?
O4 Cu2 O4 179.998(1) . 2_445 ?
O3 Cu2 N3 84.59(10) . . ?
O3 Cu2 N3 95.41(10) 2_445 . ?
O4 Cu2 N3 87.32(11) . . ?
O4 Cu2 N3 92.68(11) 2_445 . ?
C7 O3 Cu2 124.7(3) . . ?
F7A C6 F9A 110.2(11) . . ?
F7A C6 F8A 109.4(10) . . ?
F9A C6 F8A 106.1(10) . . ?
F7A C6 F9 119.4(10) . . ?
F9A C6 F9 93.4(10) . . ?
F8A C6 F9 13.6(10) . . ?
F7A C6 F8 18.8(12) . . ?
F9A C6 F8 125.2(11) . . ?
F8A C6 F8 92.8(10) . . ?
F9 C6 F8 104.4(10) . . ?
F7A C6 F7 89.3(10) . . ?
F9A C6 F7 21.0(13) . . ?
F8A C6 F7 116.0(9) . . ?
F9 C6 F7 105.4(9) . . ?
F8 C6 F7 105.0(10) . . ?
F7A C6 C7 110.7(7) . . ?
F9A C6 C7 106.8(7) . . ?
F8A C6 C7 113.5(7) . . ?
F9 C6 C7 114.3(7) . . ?
F8 C6 C7 111.6(7) . . ?
F7 C6 C7 115.2(7) . . ?
O3 C7 C8 128.1(4) . . ?
O3 C7 C6 112.8(4) . . ?
C8 C7 C6 119.1(4) . . ?
C7 C8 C9 122.3(4) . . ?
O4 C9 C8 127.9(4) . . ?
O4 C9 C10 114.6(4) . . ?
C8 C9 C10 117.5(4) . . ?
F11A C10 F12 81.7(10) . . ?
F11A C10 F10A 104.3(10) . . ?
F12 C10 F10A 118.2(10) . . ?
F11A C10 F10 120.1(10) . . ?
F12 C10 F10 110.9(9) . . ?
F10A C10 F10 17.3(11) . . ?
F11A C10 F12A 105.2(11) . . ?
F12 C10 F12A 24.0(11) . . ?
F10A C10 F12A 106.9(11) . . ?
F10 C10 F12A 94.5(11) . . ?
F11A C10 F11 23.1(11) . . ?
F12 C10 F11 104.7(9) . . ?
F10A C10 F11 91.1(10) . . ?
F10 C10 F11 108.3(10) . . ?
F12A C10 F11 127.9(10) . . ?
F11A C10 C9 114.8(8) . . ?
F12 C10 C9 115.5(7) . . ?
F10A C10 C9 116.4(7) . . ?
F10 C10 C9 111.0(7) . . ?
F12A C10 C9 108.4(8) . . ?
F11 C10 C9 105.9(8) . . ?
F11A F11 C10 60(2) . . ?
F12A F12 C10 82(3) . . ?
F12A F12 F11A 128(3) . . ?
C10 F12 F11A 47.5(7) . . ?
F11 F11A C10 96(3) . . ?
F11 F11A F12 147(3) . . ?
C10 F11A F12 50.8(7) . . ?
F12 F12A C10 74(3) . . ?
C9 O4 Cu2 124.0(3) . . ?
N1 O01 Cu1 125.1(2) . . ?
O01 N1 C07 124.7(3) . . ?
O01 N1 C01 121.9(3) . . ?
C07 N1 C01 112.3(3) . . ?
N1 C01 C03 110.4(3) . . ?
N1 C01 C02 106.2(3) . . ?
C03 C01 C02 110.4(4) . . ?
N1 C01 C04 100.1(3) . . ?
C03 C01 C04 115.7(4) . . ?
C02 C01 C04 113.2(3) . . ?
N2 C04 C05 109.1(3) . . ?
N2 C04 C06 105.7(3) . . ?
C05 C04 C06 110.5(4) . . ?
N2 C04 C01 101.0(3) . . ?
C05 C04 C01 115.7(4) . . ?
C06 C04 C01 113.9(3) . . ?
O02 N2 C07 125.4(3) . . ?
O02 N2 C04 123.2(3) . . ?
C07 N2 C04 110.9(3) . . ?
N1 C07 N2 108.6(3) . . ?
N1 C07 C08 126.2(3) . . ?
N2 C07 C08 125.2(3) . . ?
C010 C08 C09 104.2(3) . . ?
C010 C08 C07 127.2(3) . . ?
C09 C08 C07 128.6(3) . . ?
N3 C09 C08 110.8(3) . . ?
C09 N3 N4 105.7(3) . . ?
C09 N3 Cu2 122.1(2) . . ?
N4 N3 Cu2 131.9(2) . . ?
C010 N4 N3 111.8(3) . . ?
C010 N4 C041 126.7(3) . . ?
N3 N4 C041 121.4(3) . . ?
C042 C041 N4 114.7(4) . . ?
C041 C042 C043 113.2(6) . . ?
C044 C043 C042 104.3(13) . . ?
N4 C010 C08 107.5(3) . . ?
C1B Cl1A C4B 32(4) . 2_355 ?
C1B Cl1A C1A 16(2) . . ?
C4B Cl1A C1A 19(3) 2_355 . ?
C1B Cl1A Cl1B 65.3(18) . . ?
C4B Cl1A Cl1B 42(4) 2_355 . ?
C1A Cl1A Cl1B 49.2(17) . . ?
C1B Cl1A C4A 28(2) . 2_355 ?
C4B Cl1A C4A 19(3) 2_355 2_355 ?
C1A Cl1A C4A 13(2) . 2_355 ?
Cl1B Cl1A C4A 36.9(17) . 2_355 ?
C4B C1A C4A 116(10) 2_355 2_355 ?
C4B C1A C1B 56(5) 2_355 . ?
C4A C1A C1B 157(8) 2_355 . ?
C4B C1A C3B 153(10) 2_355 2_355 ?
C4A C1A C3B 66(5) 2_355 2_355 ?
C1B C1A C3B 111(8) . 2_355 ?
C4B C1A Cl1B 57(8) 2_355 . ?
C4A C1A Cl1B 66(6) 2_355 . ?
C1B C1A Cl1B 94(3) . . ?
C3B C1A Cl1B 106(5) 2_355 . ?
C4B C1A C2B 124(8) 2_355 . ?
C4A C1A C2B 118(6) 2_355 . ?
C1B C1A C2B 80(4) . . ?
C3B C1A C2B 70(4) 2_355 . ?
Cl1B C1A C2B 171(4) . . ?
C4B C1A C2A 124(8) 2_355 . ?
C4A C1A C2A 118(6) 2_355 . ?
C1B C1A C2A 80(4) . . ?
C3B C1A C2A 70(4) 2_355 . ?
Cl1B C1A C2A 171(4) . . ?
C2B C1A C2A 0.0 . . ?
C4B C1A C3A 139(9) 2_355 2_355 ?
C4A C1A C3A 71(5) 2_355 2_355 ?
C1B C1A C3A 131(5) . 2_355 ?
C3B C1A C3A 68(4) 2_355 2_355 ?
Cl1B C1A C3A 134(3) . 2_355 ?
C2B C1A C3A 53(2) . 2_355 ?
C2A C1A C3A 53(2) . 2_355 ?
C4B C1A Cl1A 38(5) 2_355 . ?
C4A C1A Cl1A 136(7) 2_355 . ?
C1B C1A Cl1A 24(3) . . ?
C3B C1A Cl1A 121(6) 2_355 . ?
Cl1B C1A Cl1A 70.9(17) . . ?
C2B C1A Cl1A 104(2) . . ?
C2A C1A Cl1A 104(2) . . ?
C3A C1A Cl1A 153(4) 2_355 . ?
C3A C2A C3A 179.996(7) . 2_355 ?
C3A C2A C3B 64(4) . . ?
C3A C2A C3B 116(4) 2_355 . ?
C3A C2A C3B 116(4) . 2_355 ?
C3A C2A C3B 64(4) 2_355 2_355 ?
C3B C2A C3B 179.998(5) . 2_355 ?
C3A C2A C1A 67(3) . 2_355 ?
C3A C2A C1A 113(3) 2_355 2_355 ?
C3B C2A C1A 34(2) . 2_355 ?
C3B C2A C1A 146(2) 2_355 2_355 ?
C3A C2A C1A 113(3) . . ?
C3A C2A C1A 67(3) 2_355 . ?
C3B C2A C1A 146(2) . . ?
C3B C2A C1A 34(2) 2_355 . ?
C1A C2A C1A 179.998(4) 2_355 . ?
C3A C2A C1B 94(3) . 2_355 ?
C3A C2A C1B 86(3) 2_355 2_355 ?
C3B C2A C1B 53(2) . 2_355 ?
C3B C2A C1B 127(2) 2_355 2_355 ?
C1A C2A C1B 27.7(14) 2_355 2_355 ?
C1A C2A C1B 152.3(14) . 2_355 ?
C3A C2A C1B 86(3) . . ?
C3A C2A C1B 94(3) 2_355 . ?
C3B C2A C1B 127(2) . . ?
C3B C2A C1B 53(2) 2_355 . ?
C1A C2A C1B 152.3(14) 2_355 . ?
C1A C2A C1B 27.7(14) . . ?
C1B C2A C1B 179.999(3) 2_355 . ?
C3A C2A C4B 77(3) . . ?
C3A C2A C4B 103(3) 2_355 . ?
C3B C2A C4B 50(2) . . ?
C3B C2A C4B 130(2) 2_355 . ?
C1A C2A C4B 16.4(17) 2_355 . ?
C1A C2A C4B 163.6(17) . . ?
C1B C2A C4B 17(2) 2_355 . ?
C1B C2A C4B 163(2) . . ?
C3A C2A C4B 103(3) . 2_355 ?
C3A C2A C4B 77(3) 2_355 2_355 ?
C3B C2A C4B 130(2) . 2_355 ?
C3B C2A C4B 50(2) 2_355 2_355 ?
C1A C2A C4B 163.6(17) 2_355 2_355 ?
C1A C2A C4B 16.4(17) . 2_355 ?
C1B C2A C4B 163(2) 2_355 2_355 ?
C1B C2A C4B 17(2) . 2_355 ?
C4B C2A C4B 179.998(2) . 2_355 ?
C3A C2A C4A 51(2) . . ?
C3A C2A C4A 129(2) 2_355 . ?
C3B C2A C4A 25(2) . . ?
C3B C2A C4A 155(2) 2_355 . ?
C1A C2A C4A 18.8(14) 2_355 . ?
C1A C2A C4A 161.2(14) . . ?
C1B C2A C4A 46.1(17) 2_355 . ?
C1B C2A C4A 133.9(17) . . ?
C4B C2A C4A 34.6(18) . . ?
C4B C2A C4A 145.4(18) 2_355 . ?
C3A C2A C4A 129(2) . 2_355 ?
C3A C2A C4A 51(2) 2_355 2_355 ?
C3B C2A C4A 155(2) . 2_355 ?
C3B C2A C4A 25(2) 2_355 2_355 ?
C1A C2A C4A 161.2(14) 2_355 2_355 ?
C1A C2A C4A 18.8(14) . 2_355 ?
C1B C2A C4A 133.9(17) 2_355 2_355 ?
C1B C2A C4A 46.1(17) . 2_355 ?
C4B C2A C4A 145.4(18) . 2_355 ?
C4B C2A C4A 34.6(18) 2_355 2_355 ?
C4A C2A C4A 179.998(4) . 2_355 ?
C2B C3A C2A 0.0 . . ?
C2B C3A C3B 61(3) . . ?
C2A C3A C3B 61(3) . . ?
C2B C3A C1A 61(3) . 2_355 ?
C2A C3A C1A 61(3) . 2_355 ?
C3B C3A C1A 33(2) . 2_355 ?
C2B C3A C4A 84(3) . . ?
C2A C3A C4A 84(3) . . ?
C3B C3A C4A 34(3) . . ?
C1A C3A C4A 26(3) 2_355 . ?
C1A C4A C3B 67(7) 2_355 . ?
C1A C4A C4B 31(6) 2_355 . ?
C3B C4A C4B 94(6) . . ?
C1A C4A Cl1B 86(5) 2_355 2_355 ?
C3B C4A Cl1B 117(6) . 2_355 ?
C4B C4A Cl1B 59(5) . 2_355 ?
C1A C4A C1B 12(4) 2_355 2_355 ?
C3B C4A C1B 67(5) . 2_355 ?
C4B C4A C1B 27(3) . 2_355 ?
Cl1B C4A C1B 76(2) 2_355 2_355 ?
C1A C4A C3A 83(6) 2_355 . ?
C3B C4A C3A 72(5) . . ?
C4B C4A C3A 105(7) . . ?
Cl1B C4A C3A 161(5) 2_355 . ?
C1B C4A C3A 94(4) 2_355 . ?
C1A C4A C2B 44(5) 2_355 . ?
C3B C4A C2B 45(4) . . ?
C4B C4A C2B 74(5) . . ?
Cl1B C4A C2B 129(3) 2_355 . ?
C1B C4A C2B 53(2) 2_355 . ?
C3A C4A C2B 45(2) . . ?
C1A C4A C2A 44(5) 2_355 . ?
C3B C4A C2A 45(4) . . ?
C4B C4A C2A 74(5) . . ?
Cl1B C4A C2A 129(3) 2_355 . ?
C1B C4A C2A 53(2) 2_355 . ?
C3A C4A C2A 45(2) . . ?
C2B C4A C2A 0.0 . . ?
C1A C4A Cl1A 32(4) 2_355 2_355 ?
C3B C4A Cl1A 80(5) . 2_355 ?
C4B C4A Cl1A 21(4) . 2_355 ?
Cl1B C4A Cl1A 55.2(16) 2_355 2_355 ?
C1B C4A Cl1A 20.9(16) 2_355 2_355 ?
C3A C4A Cl1A 114(4) . 2_355 ?
C2B C4A Cl1A 73.7(17) . 2_355 ?
C2A C4A Cl1A 73.7(17) . 2_355 ?
C4B Cl1B C4A 53(4) 2_355 2_355 ?
C4B Cl1B C1A 26(3) 2_355 . ?
C4A Cl1B C1A 28(2) 2_355 . ?
C4B Cl1B C1B 19(3) 2_355 . ?
C4A Cl1B C1B 54(2) 2_355 . ?
C1A Cl1B C1B 25.5(15) . . ?
C4B Cl1B Cl1A 42(3) 2_355 . ?
C4A Cl1B Cl1A 88(2) 2_355 . ?
C1A Cl1B Cl1A 59.9(12) . . ?
C1B Cl1B Cl1A 34.4(12) . . ?
C4B Cl1B C3B 52(2) 2_355 2_355 ?
C4A Cl1B C3B 24(2) 2_355 2_355 ?
C1A Cl1B C3B 26.2(19) . 2_355 ?
C1B Cl1B C3B 42.9(19) . 2_355 ?
Cl1A Cl1B C3B 74.1(18) . 2_355 ?
C4B C1B C1A 57(7) 2_355 . ?
C4B C1B Cl1A 89(8) 2_355 . ?
C1A C1B Cl1A 140(5) . . ?
C4B C1B C3B 91(6) 2_355 2_355 ?
C1A C1B C3B 38(5) . 2_355 ?
Cl1A C1B C3B 142(4) . 2_355 ?
C4B C1B C4A 54(6) 2_355 2_355 ?
C1A C1B C4A 11(4) . 2_355 ?
Cl1A C1B C4A 131(4) . 2_355 ?
C3B C1B C4A 37(3) 2_355 2_355 ?
C4B C1B C2A 118(9) 2_355 . ?
C1A C1B C2A 72(4) . . ?
Cl1A C1B C2A 148(3) . . ?
C3B C1B C2A 60(2) 2_355 . ?
C4A C1B C2A 81(3) 2_355 . ?
C4B C1B C2B 118(9) 2_355 . ?
C1A C1B C2B 72(4) . . ?
Cl1A C1B C2B 148(3) . . ?
C3B C1B C2B 60(2) 2_355 . ?
C4A C1B C2B 81(3) 2_355 . ?
C2A C1B C2B 0.0 . . ?
C4B C1B Cl1B 38(8) 2_355 . ?
C1A C1B Cl1B 60(4) . . ?
Cl1A C1B Cl1B 80(2) . . ?
C3B C1B Cl1B 77(3) 2_355 . ?
C4A C1B Cl1B 50(3) 2_355 . ?
C2A C1B Cl1B 132(2) . . ?
C2B C1B Cl1B 132(2) . . ?
C3A C2B C3A 179.996(7) . 2_355 ?
C3A C2B C3B 64(4) . . ?
C3A C2B C3B 116(4) 2_355 . ?
C3A C2B C3B 116(4) . 2_355 ?
C3A C2B C3B 64(4) 2_355 2_355 ?
C3B C2B C3B 179.998(5) . 2_355 ?
C3A C2B C1A 67(3) . 2_355 ?
C3A C2B C1A 113(3) 2_355 2_355 ?
C3B C2B C1A 34(2) . 2_355 ?
C3B C2B C1A 146(2) 2_355 2_355 ?
C3A C2B C1A 113(3) . . ?
C3A C2B C1A 67(3) 2_355 . ?
C3B C2B C1A 146(2) . . ?
C3B C2B C1A 34(2) 2_355 . ?
C1A C2B C1A 179.998(4) 2_355 . ?
C3A C2B C1B 94(3) . 2_355 ?
C3A C2B C1B 86(3) 2_355 2_355 ?
C3B C2B C1B 53(2) . 2_355 ?
C3B C2B C1B 127(2) 2_355 2_355 ?
C1A C2B C1B 27.7(14) 2_355 2_355 ?
C1A C2B C1B 152.3(14) . 2_355 ?
C3A C2B C1B 86(3) . . ?
C3A C2B C1B 94(3) 2_355 . ?
C3B C2B C1B 127(2) . . ?
C3B C2B C1B 53(2) 2_355 . ?
C1A C2B C1B 152.3(14) 2_355 . ?
C1A C2B C1B 27.7(14) . . ?
C1B C2B C1B 179.999(3) 2_355 . ?
C3A C2B C4B 77(3) . . ?
C3A C2B C4B 103(3) 2_355 . ?
C3B C2B C4B 50(2) . . ?
C3B C2B C4B 130(2) 2_355 . ?
C1A C2B C4B 16.4(17) 2_355 . ?
C1A C2B C4B 163.6(17) . . ?
C1B C2B C4B 17(2) 2_355 . ?
C1B C2B C4B 163(2) . . ?
C3A C2B C4B 103(3) . 2_355 ?
C3A C2B C4B 77(3) 2_355 2_355 ?
C3B C2B C4B 130(2) . 2_355 ?
C3B C2B C4B 50(2) 2_355 2_355 ?
C1A C2B C4B 163.6(17) 2_355 2_355 ?
C1A C2B C4B 16.4(17) . 2_355 ?
C1B C2B C4B 163(2) 2_355 2_355 ?
C1B C2B C4B 17(2) . 2_355 ?
C4B C2B C4B 179.998(2) . 2_355 ?
C3A C2B C4A 51(2) . . ?
C3A C2B C4A 129(2) 2_355 . ?
C3B C2B C4A 25(2) . . ?
C3B C2B C4A 155(2) 2_355 . ?
C1A C2B C4A 18.8(14) 2_355 . ?
C1A C2B C4A 161.2(14) . . ?
C1B C2B C4A 46.1(17) 2_355 . ?
C1B C2B C4A 133.9(17) . . ?
C4B C2B C4A 34.6(18) . . ?
C4B C2B C4A 145.4(18) 2_355 . ?
C3A C2B C4A 129(2) . 2_355 ?
C3A C2B C4A 51(2) 2_355 2_355 ?
C3B C2B C4A 155(2) . 2_355 ?
C3B C2B C4A 25(2) 2_355 2_355 ?
C1A C2B C4A 161.2(14) 2_355 2_355 ?
C1A C2B C4A 18.8(14) . 2_355 ?
C1B C2B C4A 133.9(17) 2_355 2_355 ?
C1B C2B C4A 46.1(17) . 2_355 ?
C4B C2B C4A 145.4(18) . 2_355 ?
C4B C2B C4A 34.6(18) 2_355 2_355 ?
C4A C2B C4A 179.998(4) . 2_355 ?
C4A C3B C1A 47(4) . 2_355 ?
C4A C3B C1B 76(4) . 2_355 ?
C1A C3B C1B 31(4) 2_355 2_355 ?
C4A C3B C3A 74(5) . . ?
C1A C3B C3A 79(5) 2_355 . ?
C1B C3B C3A 98(4) 2_355 . ?
C4A C3B C2A 110(5) . . ?
C1A C3B C2A 76(4) 2_355 . ?
C1B C3B C2A 68(2) 2_355 . ?
C3A C3B C2A 55(3) . . ?
C4A C3B C2B 110(5) . . ?
C1A C3B C2B 76(4) 2_355 . ?
C1B C3B C2B 68(2) 2_355 . ?
C3A C3B C2B 55(3) . . ?
C2A C3B C2B 0.0 . . ?
C4A C3B C4B 50(4) . . ?
C1A C3B C4B 11(5) 2_355 . ?
C1B C3B C4B 26(2) 2_355 . ?
C3A C3B C4B 91(5) . . ?
C2A C3B C4B 83(4) . . ?
C2B C3B C4B 83(4) . . ?
C4A C3B Cl1B 39(4) . 2_355 ?
C1A C3B Cl1B 48(4) 2_355 2_355 ?
C1B C3B Cl1B 60(2) 2_355 2_355 ?
C3A C3B Cl1B 111(4) . 2_355 ?
C2A C3B Cl1B 123(2) . 2_355 ?
C2B C3B Cl1B 123(2) . 2_355 ?
C4B C3B Cl1B 41(3) . 2_355 ?
C1B C4B C1A 68(8) 2_355 2_355 ?
C1B C4B C4A 98(7) 2_355 . ?
C1A C4B C4A 33(5) 2_355 . ?
C1B C4B Cl1A 59(6) 2_355 2_355 ?
C1A C4B Cl1A 123(7) 2_355 2_355 ?
C4A C4B Cl1A 140(6) . 2_355 ?
C1B C4B Cl1B 124(10) 2_355 2_355 ?
C1A C4B Cl1B 97(7) 2_355 2_355 ?
C4A C4B Cl1B 68(5) . 2_355 ?
Cl1A C4B Cl1B 96(7) 2_355 2_355 ?
C1B C4B C3B 63(6) 2_355 . ?
C1A C4B C3B 15(6) 2_355 . ?
C4A C4B C3B 35(3) . . ?
Cl1A C4B C3B 111(4) 2_355 . ?
Cl1B C4B C3B 88(4) 2_355 . ?
C1B C4B C2A 45(7) 2_355 . ?
C1A C4B C2A 40(7) 2_355 . ?
C4A C4B C2A 72(5) . . ?
Cl1A C4B C2A 102(4) 2_355 . ?
Cl1B C4B C2A 135(3) 2_355 . ?
C3B C4B C2A 48(3) . . ?
C1B C4B C2B 45(7) 2_355 . ?
C1A C4B C2B 40(7) 2_355 . ?
C4A C4B C2B 72(5) . . ?
Cl1A C4B C2B 102(4) 2_355 . ?
Cl1B C4B C2B 135(3) 2_355 . ?
C3B C4B C2B 48(3) . . ?
C2A C4B C2B 0.0 . . ?
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 O2 1.967(2) . ?
Cu1 O2 1.967(2) 2_556 ?
Cu1 O1 1.988(3) 2_556 ?
Cu1 O1 1.988(3) . ?
Cu1 O01 2.296(3) 2_556 ?
Cu1 O01 2.296(3) . ?
O1 C2 1.245(4) . ?
C1 F2A 1.241(12) . ?
C1 F1A 1.264(13) . ?
C1 F3 1.274(12) . ?
C1 F3A 1.282(10) . ?
C1 F1 1.312(11) . ?
C1 F2 1.320(13) . ?
C1 C2 1.521(6) . ?
F1 F1A 0.79(2) . ?
F1 F2A 1.64(2) . ?
F2 F2A 0.52(2) . ?
F3 F3A 0.57(3) . ?
F3 F1A 1.588(18) . ?
C2 C3 1.376(5) . ?
C3 C4 1.370(6) . ?
C4 O2 1.253(4) . ?
C4 C5 1.519(6) . ?
C5 F4A 1.087(13) . ?
C5 F6A 1.263(11) . ?
C5 F5A 1.274(14) . ?
C5 F6 1.306(15) . ?
C5 F4 1.326(13) . ?
C5 F5 1.442(9) . ?
Cu2 O3 1.938(2) . ?
Cu2 O3 1.938(2) 2_445 ?
Cu2 O4 1.969(3) . ?
Cu2 O4 1.969(3) 2_445 ?
Cu2 N3 2.491(3) . ?
O3 C7 1.254(4) . ?
C6 F7A 1.260(11) . ?
C6 F9A 1.278(13) . ?
C6 F8A 1.295(12) . ?
C6 F9 1.304(13) . ?
C6 F8 1.323(12) . ?
C6 F7 1.320(12) . ?
C6 C7 1.527(6) . ?
C7 C8 1.376(6) . ?
C8 C9 1.387(6) . ?
C9 O4 1.247(5) . ?
C9 C10 1.527(6) . ?
C10 F11A 1.220(13) . ?
C10 F12 1.282(14) . ?
C10 F10A 1.287(14) . ?
C10 F10 1.300(13) . ?
C10 F12A 1.319(16) . ?
C10 F11 1.394(14) . ?
F11 F11A 0.55(2) . ?
F12 F12A 0.54(3) . ?
F12 F11A 1.64(2) . ?
O01 N1 1.298(4) . ?
N1 C07 1.328(4) . ?
N1 C01 1.499(5) . ?
C01 C03 1.519(5) . ?
C01 C02 1.529(6) . ?
C01 C04 1.542(6) . ?
C04 N2 1.502(5) . ?
C04 C05 1.516(6) . ?
C04 C06 1.522(6) . ?
N2 O02 1.264(4) . ?
N2 C07 1.363(5) . ?
C07 C08 1.432(5) . ?
C08 C010 1.391(5) . ?
C08 C09 1.400(5) . ?
C09 N3 1.325(5) . ?
N3 N4 1.351(4) . ?
N4 C010 1.322(5) . ?
N4 C041 1.458(5) . ?
C041 C042 1.408(8) . ?
C042 C043 1.597(12) . ?
C043 C044 1.229(15) . ?
Cl1A C1B 1.06(4) . ?
Cl1A C4B 1.24(7) 2_355 ?
Cl1A C1A 1.695(19) . ?
Cl1A Cl1B 1.85(3) . ?
Cl1A C4A 2.26(4) 2_355 ?
C1A C4B 0.67(7) 2_355 ?
C1A C4A 0.71(6) 2_355 ?
C1A C1B 0.74(4) . ?
C1A C3B 0.88(5) 2_355 ?
C1A Cl1B 1.48(4) . ?
C1A C2B 1.51(4) . ?
C1A C2A 1.51(4) . ?
C1A C3A 1.59(7) 2_355 ?
C2A C3A 1.38(4) . ?
C2A C3A 1.38(4) 2_355 ?
C2A C3B 1.46(4) . ?
C2A C3B 1.46(4) 2_355 ?
C2A C1A 1.51(4) 2_355 ?
C2A C1B 1.56(3) 2_355 ?
C2A C1B 1.56(3) . ?
C2A C4B 1.96(9) . ?
C2A C4B 1.96(9) 2_355 ?
C2A C4A 1.94(6) . ?
C2A C4A 1.94(6) 2_355 ?
C3A C2B 1.38(4) . ?
C3A C3B 1.50(7) . ?
C3A C1A 1.59(7) 2_355 ?
C3A C4A 1.52(5) . ?
C4A C1A 0.71(6) 2_355 ?
C4A C3B 0.88(7) . ?
C4A C4B 1.16(6) . ?
C4A Cl1B 1.36(6) 2_355 ?
C4A C1B 1.42(5) 2_355 ?
C4A C2B 1.94(6) . ?
C4A Cl1A 2.26(4) 2_355 ?
Cl1B C4B 1.25(9) 2_355 ?
Cl1B C4A 1.36(6) 2_355 ?
Cl1B C1B 1.71(2) . ?
Cl1B C3B 1.92(5) 2_355 ?
C1B C4B 0.66(6) 2_355 ?
C1B C3B 1.34(6) 2_355 ?
C1B C4A 1.42(5) 2_355 ?
C1B C2B 1.56(3) . ?
C2B C3A 1.38(4) 2_355 ?
C2B C3B 1.46(4) . ?
C2B C3B 1.46(4) 2_355 ?
C2B C1A 1.51(4) 2_355 ?
C2B C1B 1.56(3) 2_355 ?
C2B C4B 1.96(9) . ?
C2B C4B 1.96(9) 2_355 ?
C2B C4A 1.94(6) 2_355 ?
C3B C1A 0.88(5) 2_355 ?
C3B C1B 1.34(6) 2_355 ?
C3B C4B 1.51(4) . ?
C3B Cl1B 1.92(5) 2_355 ?
C4B C1B 0.66(6) 2_355 ?
C4B C1A 0.67(7) 2_355 ?
C4B Cl1A 1.24(7) 2_355 ?
C4B Cl1B 1.25(9) 2_355 ?
