#------------------------------------------------------------------------------
#$Date: 2016-03-26 18:10:08 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180414 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/83/7208331.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_7208331
loop_
_publ_author_name
'Vander Hoogerstraete, Tom'
'Brooks, Neil R.'
'Norberg, Bernadette'
'Wouters, Johan'
'Van Hecke, Kristof'
'Van Meervelt, Luc'
'Binnemans, Koen'
_publ_section_title
;
 Crystal structures of low-melting ionic transition-metal complexes with
 N-alkylimidazole ligands
;
_journal_issue                   15
_journal_name_full               CrystEngComm
_journal_page_first              4902
_journal_paper_doi               10.1039/c2ce25470k
_journal_volume                  14
_journal_year                    2012
_chemical_formula_moiety         'C24 H36 Cu N12, 2(C2 F6 N O4 S2)'
_chemical_formula_sum            'C28 H36 Cu F12 N14 O8 S4'
_chemical_formula_weight         1116.54
_chemical_melting_point          325
_chemical_name_common
;
hexakis(N-methylimidazole)copper(II) bistriflimide
;
_chemical_name_systematic
;
hexakis(N-methylimidazole)copper(II) bis(trifluoromethyl)sulfonylimide
;
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_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                91.145(1)
_cell_angle_beta                 93.419(1)
_cell_angle_gamma                92.945(2)
_cell_formula_units_Z            2
_cell_length_a                   8.2933(3)
_cell_length_b                   11.1971(3)
_cell_length_c                   24.1682(7)
_cell_measurement_reflns_used    6756
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      71.241
_cell_measurement_theta_min      4.321
_cell_volume                     2236.73(12)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SAINT'
_computing_data_reduction        'Bruker SMART'
_computing_publication_material
;
A.L.Spek (2010) PLATON, A Multipurpose Crystallographic Tool,
Utrecht University, Utrecht, The Netherlands.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'SMART 6000'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  'crossed G\"obel mirrors'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0514
_diffrn_reflns_av_sigmaI/netI    0.0422
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            38817
_diffrn_reflns_theta_full        66.50
_diffrn_reflns_theta_max         66.59
_diffrn_reflns_theta_min         1.83
_exptl_absorpt_coefficient_mu    3.462
_exptl_absorpt_correction_T_max  0.846
_exptl_absorpt_correction_T_min  0.338
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.658
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1134
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.441
_refine_diff_density_min         -0.381
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     613
_refine_ls_number_reflns         7871
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0403
_refine_ls_R_factor_gt           0.0368
_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)+(0.0504P)²+1.3571P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0946
_refine_ls_wR_factor_ref         0.0972
_reflns_number_gt                7131
_reflns_number_total             7871
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce25470k.txt
_cod_data_source_block           wg299n
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               7208331
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 1.0000 1.0000 1.0000 0.01499(11) Uani 1 2 d S
Cu2 Cu 0.5000 0.5000 0.5000 0.01506(11) Uani 1 2 d S
C1 C 0.3536(3) 0.2098(2) 0.24482(10) 0.0326(5) Uani 1 1 d .
F2 F 0.4613(2) 0.23207(17) 0.20725(7) 0.0555(5) Uani 1 1 d .
F3 F 0.2134(2) 0.25009(15) 0.22665(8) 0.0534(5) Uani 1 1 d .
F4 F 0.4020(2) 0.26860(13) 0.29144(6) 0.0421(4) Uani 1 1 d .
S5 S 0.33584(6) 0.04782(5) 0.25495(2) 0.02318(13) Uani 1 1 d .
O6 O 0.4970(2) 0.01591(17) 0.26914(7) 0.0325(4) Uani 1 1 d .
O7 O 0.2569(2) 0.00207(17) 0.20399(7) 0.0360(4) Uani 1 1 d .
N8 N 0.2128(2) 0.03476(18) 0.30217(7) 0.0241(4) Uani 1 1 d .
S9 S 0.26515(6) 0.02755(5) 0.36568(2) 0.02138(12) Uani 1 1 d .
O10 O 0.4176(2) 0.08440(15) 0.38389(7) 0.0319(4) Uani 1 1 d .
O11 O 0.1273(2) 0.04857(17) 0.39655(7) 0.0367(4) Uani 1 1 d .
C12 C 0.2931(3) -0.1324(2) 0.37569(10) 0.0272(5) Uani 1 1 d .
F13 F 0.4142(2) -0.16990(13) 0.34861(8) 0.0455(4) Uani 1 1 d .
F14 F 0.3251(2) -0.14973(15) 0.42935(7) 0.0490(4) Uani 1 1 d .
F15 F 0.1610(2) -0.19819(14) 0.35947(8) 0.0455(4) Uani 1 1 d .
C16 C 0.7446(3) 0.7085(2) 0.25358(10) 0.0332(5) Uani 1 1 d .
F17 F 0.7036(2) 0.76378(14) 0.20734(7) 0.0439(4) Uani 1 1 d .
F18 F 0.6367(2) 0.73080(18) 0.29052(7) 0.0575(5) Uani 1 1 d .
F19 F 0.8884(2) 0.75221(17) 0.27312(8) 0.0552(5) Uani 1 1 d .
S20 S 0.74542(6) 0.54685(5) 0.24088(2) 0.02471(13) Uani 1 1 d .
O22 O 0.5814(2) 0.51123(16) 0.22442(7) 0.0333(4) Uani 1 1 d .
O23 O 0.8147(2) 0.50265(19) 0.29145(7) 0.0419(5) Uani 1 1 d .
N23 N 0.8720(2) 0.54059(18) 0.19504(8) 0.0262(4) Uani 1 1 d .
S24 S 0.82804(6) 0.52394(4) 0.13099(2) 0.02060(12) Uani 1 1 d .
O25 O 0.9563(2) 0.57639(16) 0.10124(7) 0.0339(4) Uani 1 1 d .
O26 O 0.6649(2) 0.54378(16) 0.11206(7) 0.0311(4) Uani 1 1 d .
C27 C 0.8478(3) 0.3629(2) 0.12082(10) 0.0275(5) Uani 1 1 d .
F28 F 0.99498(17) 0.33184(13) 0.13652(6) 0.0359(3) Uani 1 1 d .
F29 F 0.8190(2) 0.33397(15) 0.06762(7) 0.0482(4) Uani 1 1 d .
F30 F 0.74133(19) 0.30189(13) 0.14956(8) 0.0448(4) Uani 1 1 d .
N31 N 0.8201(2) 1.13975(15) 0.95313(7) 0.0188(3) Uani 1 1 d .
C32 C 0.8376(3) 1.18347(19) 0.90350(8) 0.0208(4) Uani 1 1 d .
H32 H 0.9280 1.1707 0.8821 0.025 Uiso 1 1 calc R
N33 N 0.7120(2) 1.24865(16) 0.88656(7) 0.0216(4) Uani 1 1 d .
C34 C 0.6067(3) 1.24611(19) 0.92790(9) 0.0237(4) Uani 1 1 d .
H34 H 0.5064 1.2834 0.9281 0.028 Uiso 1 1 calc R
C35 C 0.6743(3) 1.17952(19) 0.96869(9) 0.0212(4) Uani 1 1 d .
H35 H 0.6279 1.1628 1.0029 0.025 Uiso 1 1 calc R
C36 C 0.6943(3) 1.3085(2) 0.83361(10) 0.0346(6) Uani 1 1 d .
H36A H 0.7966 1.3513 0.8263 0.052 Uiso 1 1 calc R
H36B H 0.6088 1.3656 0.8351 0.052 Uiso 1 1 calc R
H36C H 0.6657 1.2490 0.8039 0.052 Uiso 1 1 calc R
N37 N 1.1233(2) 0.98990(15) 0.93024(7) 0.0160(3) Uani 1 1 d .
C38 C 1.0639(2) 0.95457(18) 0.88034(8) 0.0174(4) Uani 1 1 d .
H38 H 0.9560 0.9239 0.8723 0.021 Uiso 1 1 calc R
N39 N 1.1749(2) 0.96733(16) 0.84258(7) 0.0189(3) Uani 1 1 d .
C40 C 1.3156(3) 1.0125(2) 0.86967(9) 0.0218(4) Uani 1 1 d .
H40 H 1.4160 1.0300 0.8539 0.026 Uiso 1 1 calc R
C41 C 1.2824(2) 1.02697(19) 0.92370(8) 0.0209(4) Uani 1 1 d .
H41 H 1.3570 1.0578 0.9525 0.025 Uiso 1 1 calc R
C42 C 1.1496(3) 0.9381(2) 0.78317(9) 0.0282(5) Uani 1 1 d .
H42A H 1.1331 0.8513 0.7778 0.042 Uiso 1 1 calc R
H42B H 1.2447 0.9665 0.7640 0.042 Uiso 1 1 calc R
H42C H 1.0540 0.9772 0.7680 0.042 Uiso 1 1 calc R
N43 N 0.8452(2) 0.86062(15) 0.97157(7) 0.0167(3) Uani 1 1 d .
C44 C 0.8551(2) 0.74789(19) 0.98572(8) 0.0187(4) Uani 1 1 d .
H44 H 0.9354 0.7199 1.0112 0.022 Uiso 1 1 calc R
N45 N 0.7371(2) 0.67763(16) 0.95948(7) 0.0204(4) Uani 1 1 d .
C46 C 0.6464(3) 0.7494(2) 0.92634(8) 0.0227(4) Uani 1 1 d .
H46 H 0.5547 0.7251 0.9026 0.027 Uiso 1 1 calc R
C47 C 0.7129(2) 0.86203(19) 0.93401(8) 0.0208(4) Uani 1 1 d .
H47 H 0.6746 0.9311 0.9164 0.025 Uiso 1 1 calc R
C48 C 0.7146(3) 0.5475(2) 0.96342(10) 0.0296(5) Uani 1 1 d .
H48A H 0.7975 0.5089 0.9432 0.044 Uiso 1 1 calc R
H48B H 0.6071 0.5212 0.9472 0.044 Uiso 1 1 calc R
H48C H 0.7240 0.5253 1.0024 0.044 Uiso 1 1 calc R
N49 N 0.3631(2) 0.36149(15) 0.52992(7) 0.0176(3) Uani 1 1 d .
C50 C 0.3685(3) 0.24782(19) 0.51491(8) 0.0208(4) Uani 1 1 d .
H50 H 0.4363 0.2189 0.4879 0.025 Uiso 1 1 calc R
N51 N 0.2661(2) 0.17821(17) 0.54272(7) 0.0242(4) Uani 1 1 d .
C52 C 0.1894(3) 0.2514(2) 0.57749(9) 0.0272(5) Uani 1 1 d .
H52 H 0.1101 0.2278 0.6025 0.033 Uiso 1 1 calc R
C53 C 0.2491(3) 0.3641(2) 0.56919(9) 0.0240(4) Uani 1 1 d .
H53 H 0.2173 0.4342 0.5876 0.029 Uiso 1 1 calc R
C54 C 0.2461(3) 0.0475(2) 0.53881(11) 0.0365(6) Uani 1 1 d .
H54A H 0.2614 0.0205 0.5007 0.055 Uiso 1 1 calc R
H54B H 0.1371 0.0220 0.5489 0.055 Uiso 1 1 calc R
H54C H 0.3263 0.0125 0.5642 0.055 Uiso 1 1 calc R
N55 N 0.6501(2) 0.50321(15) 0.57019(7) 0.0168(3) Uani 1 1 d .
C56 C 0.6223(2) 0.46299(18) 0.62010(8) 0.0186(4) Uani 1 1 d .
H56 H 0.5226 0.4257 0.6297 0.022 Uiso 1 1 calc R
N57 N 0.7525(2) 0.48158(16) 0.65536(7) 0.0190(3) Uani 1 1 d .
C58 C 0.8725(3) 0.5360(2) 0.62644(9) 0.0243(4) Uani 1 1 d .
H58 H 0.9792 0.5598 0.6402 0.029 Uiso 1 1 calc R
C59 C 0.8075(3) 0.5488(2) 0.57423(9) 0.0232(4) Uani 1 1 d .
H59 H 0.8627 0.5840 0.5448 0.028 Uiso 1 1 calc R
C60 C 0.7663(3) 0.4489(2) 0.71360(9) 0.0266(5) Uani 1 1 d .
H60A H 0.6580 0.4340 0.7270 0.040 Uiso 1 1 calc R
H60B H 0.8232 0.5143 0.7356 0.040 Uiso 1 1 calc R
H60C H 0.8270 0.3763 0.7173 0.040 Uiso 1 1 calc R
N61 N 0.3286(2) 0.64007(15) 0.54241(7) 0.0197(4) Uani 1 1 d .
C62 C 0.3423(3) 0.68187(19) 0.59401(9) 0.0221(4) Uani 1 1 d .
H62 H 0.4293 0.6657 0.6197 0.026 Uiso 1 1 calc R
N63 N 0.2201(2) 0.74963(15) 0.60626(7) 0.0196(4) Uani 1 1 d .
C64 C 0.1202(2) 0.75304(18) 0.55888(9) 0.0200(4) Uani 1 1 d .
H64 H 0.0233 0.7944 0.5542 0.024 Uiso 1 1 calc R
C65 C 0.1879(3) 0.68554(18) 0.52031(8) 0.0195(4) Uani 1 1 d .
H65 H 0.1448 0.6715 0.4833 0.023 Uiso 1 1 calc R
C66 C 0.1990(3) 0.8086(2) 0.65963(9) 0.0295(5) Uani 1 1 d .
H66A H 0.2103 0.7506 0.6893 0.044 Uiso 1 1 calc R
H66B H 0.0912 0.8407 0.6593 0.044 Uiso 1 1 calc R
H66C H 0.2814 0.8741 0.6661 0.044 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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
N37 Cu1 N37 179.999(1) . 2_777
N37 Cu1 N43 89.39(7) . 2_777
N37 Cu1 N43 90.61(7) 2_777 2_777
N37 Cu1 N43 90.61(7) . .
N37 Cu1 N43 89.39(7) 2_777 .
N43 Cu1 N43 179.998(1) 2_777 .
N37 Cu1 N31 90.98(6) . 2_777
N37 Cu1 N31 89.02(6) 2_777 2_777
N43 Cu1 N31 89.17(6) 2_777 2_777
N43 Cu1 N31 90.83(6) . 2_777
N37 Cu1 N31 89.02(6) . .
N37 Cu1 N31 90.98(6) 2_777 .
N43 Cu1 N31 90.83(6) 2_777 .
N43 Cu1 N31 89.17(6) . .
N31 Cu1 N31 179.999(1) 2_777 .
N55 Cu2 N55 180.00(9) 2_666 .
N55 Cu2 N49 89.62(7) 2_666 .
N55 Cu2 N49 90.38(7) . .
N55 Cu2 N49 90.38(7) 2_666 2_666
N55 Cu2 N49 89.62(7) . 2_666
N49 Cu2 N49 180.0 . 2_666
N55 Cu2 N61 89.33(6) 2_666 .
N55 Cu2 N61 90.67(6) . .
N49 Cu2 N61 89.52(6) . .
N49 Cu2 N61 90.48(6) 2_666 .
N55 Cu2 N61 90.67(6) 2_666 2_666
N55 Cu2 N61 89.33(6) . 2_666
N49 Cu2 N61 90.48(6) . 2_666
N49 Cu2 N61 89.52(6) 2_666 2_666
N61 Cu2 N61 179.999(1) . 2_666
F3 C1 F4 108.3(2) . .
F3 C1 F2 108.7(2) . .
F4 C1 F2 108.8(2) . .
F3 C1 S5 110.89(17) . .
F4 C1 S5 111.59(15) . .
F2 C1 S5 108.56(19) . .
O6 S5 O7 118.83(11) . .
O6 S5 N8 116.10(10) . .
O7 S5 N8 108.47(10) . .
O6 S5 C1 104.50(11) . .
O7 S5 C1 103.54(11) . .
N8 S5 C1 103.28(11) . .
S9 N8 S5 123.96(12) . .
O10 S9 O11 118.82(11) . .
O10 S9 N8 116.93(10) . .
O11 S9 N8 108.10(10) . .
O10 S9 C12 104.19(11) . .
O11 S9 C12 102.83(11) . .
N8 S9 C12 103.72(11) . .
F13 C12 F15 108.5(2) . .
F13 C12 F14 108.2(2) . .
F15 C12 F14 108.17(19) . .
F13 C12 S9 111.86(16) . .
F15 C12 S9 111.45(16) . .
F14 C12 S9 108.54(17) . .
F19 C16 F17 108.9(2) . .
F19 C16 F18 108.7(2) . .
F17 C16 F18 108.3(2) . .
F19 C16 S20 111.10(17) . .
F17 C16 S20 110.64(16) . .
F18 C16 S20 109.1(2) . .
O23 S20 O22 118.54(11) . .
O23 S20 N23 109.08(11) . .
O22 S20 N23 116.91(10) . .
O23 S20 C16 103.93(12) . .
O22 S20 C16 104.78(11) . .
N23 S20 C16 101.02(12) . .
S20 N23 S24 124.96(12) . .
O25 S24 O26 118.38(11) . .
O25 S24 N23 109.08(11) . .
O26 S24 N23 116.95(10) . .
O25 S24 C27 103.60(11) . .
O26 S24 C27 104.75(11) . .
N23 S24 C27 101.56(11) . .
F28 C27 F29 108.6(2) . .
F28 C27 F30 108.96(19) . .
F29 C27 F30 108.4(2) . .
F28 C27 S24 111.21(16) . .
F29 C27 S24 109.33(16) . .
F30 C27 S24 110.28(16) . .
C32 N31 C35 104.82(17) . .
C32 N31 Cu1 125.48(14) . .
C35 N31 Cu1 129.38(13) . .
N31 C32 N33 112.02(19) . .
C32 N33 C34 106.93(17) . .
C32 N33 C36 125.6(2) . .
C34 N33 C36 127.46(19) . .
C35 C34 N33 106.20(18) . .
C34 C35 N31 110.03(19) . .
C38 N37 C41 105.48(17) . .
C38 N37 Cu1 126.71(14) . .
C41 N37 Cu1 127.63(14) . .
N37 C38 N39 111.53(18) . .
C38 N39 C40 107.46(17) . .
C38 N39 C42 125.95(18) . .
C40 N39 C42 126.59(18) . .
C41 C40 N39 106.15(18) . .
C40 C41 N37 109.38(18) . .
C44 N43 C47 105.48(17) . .
C44 N43 Cu1 125.65(14) . .
C47 N43 Cu1 128.86(14) . .
N43 C44 N45 111.46(18) . .
C44 N45 C46 107.23(18) . .
C44 N45 C48 126.44(18) . .
C46 N45 C48 126.26(18) . .
C47 C46 N45 106.57(18) . .
C46 C47 N43 109.26(19) . .
C50 N49 C53 105.44(18) . .
C50 N49 Cu2 125.59(14) . .
C53 N49 Cu2 128.97(15) . .
N49 C50 N51 111.43(19) . .
C50 N51 C52 107.33(18) . .
C50 N51 C54 126.4(2) . .
C52 N51 C54 126.2(2) . .
C53 C52 N51 106.34(19) . .
C52 C53 N49 109.5(2) . .
C56 N55 C59 105.31(17) . .
C56 N55 Cu2 129.50(14) . .
C59 N55 Cu2 125.18(14) . .
N55 C56 N57 111.46(18) . .
C56 N57 C58 107.33(17) . .
C56 N57 C60 126.70(18) . .
C58 N57 C60 125.96(18) . .
C59 C58 N57 105.97(18) . .
C58 C59 N55 109.92(19) . .
C62 N61 C65 104.41(17) . .
C62 N61 Cu2 127.03(14) . .
C65 N61 Cu2 128.33(13) . .
N61 C62 N63 112.63(18) . .
C62 N63 C64 106.61(17) . .
C62 N63 C66 126.30(19) . .
C64 N63 C66 127.09(18) . .
C65 C64 N63 106.07(18) . .
C64 C65 N61 110.28(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N37 2.0276(16) .
Cu1 N37 2.0276(16) 2_777
Cu1 N43 2.0496(17) 2_777
Cu1 N43 2.0496(17) .
Cu1 N31 2.4633(17) 2_777
Cu1 N31 2.4633(17) .
Cu2 N55 2.0419(16) 2_666
Cu2 N55 2.0419(16) .
Cu2 N49 2.0443(17) .
Cu2 N49 2.0443(17) 2_666
Cu2 N61 2.4229(17) .
Cu2 N61 2.4229(17) 2_666
C1 F3 1.323(3) .
C1 F4 1.324(3) .
C1 F2 1.330(3) .
C1 S5 1.834(3) .
S5 O6 1.4254(18) .
S5 O7 1.4325(17) .
S5 N8 1.5795(18) .
N8 S9 1.5749(18) .
S9 O10 1.4274(18) .
S9 O11 1.4287(18) .
S9 C12 1.836(2) .
C12 F13 1.313(3) .
C12 F15 1.324(3) .
C12 F14 1.328(3) .
C16 F19 1.322(3) .
C16 F17 1.324(3) .
C16 F18 1.330(3) .
C16 S20 1.830(3) .
S20 O23 1.4278(17) .
S20 O22 1.4289(18) .
S20 N23 1.574(2) .
N23 S24 1.5743(19) .
S24 O25 1.4272(18) .
S24 O26 1.4319(17) .
S24 C27 1.832(2) .
C27 F28 1.322(3) .
C27 F29 1.324(3) .
C27 F30 1.326(3) .
N31 C32 1.318(3) .
N31 C35 1.380(3) .
C32 N33 1.351(3) .
N33 C34 1.365(3) .
N33 C36 1.460(3) .
C34 C35 1.360(3) .
N37 C38 1.320(3) .
N37 C41 1.382(3) .
C38 N39 1.339(3) .
N39 C40 1.371(3) .
N39 C42 1.466(3) .
C40 C41 1.359(3) .
N43 C44 1.320(3) .
N43 C47 1.383(3) .
C44 N45 1.344(3) .
N45 C46 1.367(3) .
N45 C48 1.465(3) .
C46 C47 1.355(3) .
N49 C50 1.320(3) .
N49 C53 1.380(3) .
C50 N51 1.342(3) .
N51 C52 1.368(3) .
N51 C54 1.465(3) .
C52 C53 1.355(3) .
N55 C56 1.325(3) .
N55 C59 1.375(3) .
C56 N57 1.340(3) .
N57 C58 1.374(3) .
N57 C60 1.461(3) .
C58 C59 1.356(3) .
N61 C62 1.320(3) .
N61 C65 1.379(3) .
C62 N63 1.340(3) .
N63 C64 1.375(3) .
N63 C66 1.461(3) .
C64 C65 1.354(3) .
