#------------------------------------------------------------------------------
#$Date: 2015-07-11 01:45:42 +0300 (Sat, 11 Jul 2015) $
#$Revision: 143729 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/48/7054850.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_7054850
loop_
_publ_author_name
'Jayaratna, Naleen B.'
'Hettiarachchi, Champika V.'
'Yousufuddin, Muhammed'
'Rasika Dias, H. V.'
_publ_section_title
;
 Isolable arene sandwiched copper(i) pyrazolates
;
_journal_issue                   7
_journal_name_full               'New J. Chem.'
_journal_page_first              5092
_journal_paper_doi               10.1039/C5NJ01002K
_journal_volume                  39
_journal_year                    2015
_chemical_formula_moiety         'C15 H3 Cu3 F18 N6, 2(C5 H4)'
_chemical_formula_sum            'C25 H11 Cu3 F18 N6'
_chemical_formula_weight         928.02
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2015-05-10
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_audit_update_record
;
2015-05-10 deposited with the CCDC.
2015-05-12 downloaded from the CCDC.
;
_cell_angle_alpha                109.803(2)
_cell_angle_beta                 117.447(2)
_cell_angle_gamma                95.807(2)
_cell_formula_units_Z            2
_cell_length_a                   11.7936(11)
_cell_length_b                   12.4534(11)
_cell_length_c                   12.7263(11)
_cell_measurement_reflns_used    9949
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      40.30
_cell_measurement_theta_min      3.14
_cell_volume                     1484.7(2)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.0
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0134
_diffrn_reflns_av_unetI/netI     0.0159
_diffrn_reflns_laue_measured_fraction_full 0.981
_diffrn_reflns_laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            16256
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         27.000
_diffrn_reflns_theta_min         3.135
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.274
_exptl_absorpt_correction_T_max  0.8377
_exptl_absorpt_correction_T_min  0.5966
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0359 before and 0.0292 after correction.
The Ratio of minimum to maximum transmission is 0.7122.
The λ/2 correction factor is 0.00150.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.076
_exptl_crystal_description       prism
_exptl_crystal_F_000             904
_exptl_crystal_size_max          0.505
_exptl_crystal_size_mid          0.292
_exptl_crystal_size_min          0.146
_refine_diff_density_max         0.428
_refine_diff_density_min         -0.364
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     500
_refine_ls_number_reflns         6379
_refine_ls_number_restraints     61
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0235
_refine_ls_R_factor_gt           0.0223
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0292P)²+1.1218P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0569
_refine_ls_wR_factor_ref         0.0576
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6098
_reflns_number_total             6379
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5nj01002k2.cif
_cod_data_source_block           rad194_0m_a_final
_cod_depositor_comments
'Adding full bibliography for 7054848--7054850.cif.'
_cod_database_code               7054850
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.732
_shelx_estimated_absorpt_t_min   0.393
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 C9-F7 = C9-F8 = C9-F9 = C9A-F7A = C9A-F8A = C9A-F9A
 1.335 with sigma of 0.005
 F7-F8 \\sim F8-F9 \\sim F9-F7
 with sigma of 0.01
 F7A-F8A \\sim F8A-F9A \\sim F9A-F7A
 with sigma of 0.01
 C9-C6 \\sim C9A-C6
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(F8A) \\sim Ueq, Uanis(F8) \\sim Ueq, Uanis(F9A) \\sim Ueq, Uanis(F9)
\\sim Ueq, Uanis(F7A) \\sim Ueq, Uanis(F7) \\sim Ueq: with sigma of 0.005 and
sigma for terminal atoms of 0.005
Uanis(C9) \\sim Ueq, Uanis(C9A) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.01
Uanis(C9) = Uanis(C9A)
4. Others
 Sof(C9A)=Sof(F8A)=Sof(F7A)=Sof(F9A)=1-FVAR(1)
 Sof(C9)=Sof(F7)=Sof(F8)=Sof(F9)=FVAR(1)
5.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C7(H7), C12(H12), C16(H16), C17(H17), C18(H18), C19(H19), C21(H21),
 C22(H22), C23(H23), C24(H24)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.55606(2) 0.24945(2) 0.78282(2) 0.01421(5) Uani 1 1 d . . . . .
Cu2 Cu 0.43957(2) 0.26865(2) 0.50887(2) 0.01596(5) Uani 1 1 d . . . . .
Cu3 Cu 0.24341(2) 0.22376(2) 0.60939(2) 0.01522(5) Uani 1 1 d . . . . .
F1 F 1.02389(9) 0.37648(9) 0.97470(10) 0.0250(2) Uani 1 1 d . . . . .
F2 F 0.87185(11) 0.21535(9) 0.90832(10) 0.0292(2) Uani 1 1 d . . . . .
F3 F 0.86834(10) 0.38764(9) 1.01907(9) 0.0251(2) Uani 1 1 d . . . . .
F4 F 0.82507(11) 0.47917(10) 0.55240(11) 0.0292(2) Uani 1 1 d . . . . .
F5 F 0.62450(12) 0.47778(11) 0.50653(12) 0.0350(3) Uani 1 1 d . . . . .
F6 F 0.65809(12) 0.31985(10) 0.40531(10) 0.0295(2) Uani 1 1 d . . . . .
F10 F -0.15103(13) 0.14314(12) 0.32615(16) 0.0503(4) Uani 1 1 d . . . . .
F11 F -0.11253(12) 0.32439(12) 0.35521(13) 0.0380(3) Uani 1 1 d . . . . .
F12 F -0.00851(13) 0.28360(17) 0.51911(12) 0.0549(4) Uani 1 1 d . . . . .
F13 F 0.02350(11) 0.05920(12) 0.62208(11) 0.0393(3) Uani 1 1 d . . . . .
F14 F 0.06321(12) 0.23405(12) 0.76304(15) 0.0424(3) Uani 1 1 d . . . . .
F15 F 0.05035(11) 0.08377(13) 0.80771(12) 0.0379(3) Uani 1 1 d . . . . .
F16 F 0.68985(10) 0.25107(10) 1.05004(11) 0.0275(2) Uani 1 1 d . . . . .
F17 F 0.60688(11) 0.06163(10) 0.97262(11) 0.0341(3) Uani 1 1 d . . . . .
F18 F 0.59520(11) 0.18027(12) 1.13287(10) 0.0351(3) Uani 1 1 d . . . . .
N1 N 0.67449(13) 0.30207(11) 0.73810(12) 0.0142(2) Uani 1 1 d . . . . .
N2 N 0.62469(13) 0.32260(11) 0.62909(12) 0.0140(2) Uani 1 1 d . . . . .
N3 N 0.25407(13) 0.23354(12) 0.39799(13) 0.0170(3) Uani 1 1 d . . . . .
N4 N 0.17684(13) 0.23918(12) 0.45163(12) 0.0155(2) Uani 1 1 d . . . . .
N5 N 0.30510(13) 0.19037(11) 0.75599(12) 0.0141(2) Uani 1 1 d . . . . .
N6 N 0.43707(13) 0.20150(11) 0.82912(12) 0.0138(2) Uani 1 1 d . . . . .
C1 C 0.80925(15) 0.34020(13) 0.80090(14) 0.0152(3) Uani 1 1 d . . . . .
C2 C 0.85034(15) 0.38695(13) 0.73523(15) 0.0166(3) Uani 1 1 d . . . . .
H2 H 0.9392 0.4198 0.7581 0.020 Uiso 1 1 calc R . . . .
C3 C 0.73035(15) 0.37407(13) 0.62814(15) 0.0148(3) Uani 1 1 d . . . . .
C4 C 0.89329(16) 0.32968(14) 0.92525(15) 0.0185(3) Uani 1 1 d . . . . .
C5 C 0.70944(16) 0.41203(14) 0.52285(16) 0.0190(3) Uani 1 1 d . . . . .
C6 C 0.17806(16) 0.22812(15) 0.27712(15) 0.0192(3) Uani 1 1 d D . . . .
C7 C 0.05096(16) 0.23046(16) 0.25025(16) 0.0203(3) Uani 1 1 d . . . . .
H7 H -0.0222 0.2275 0.1728 0.024 Uiso 1 1 calc R . . . .
C8 C 0.05582(15) 0.23815(14) 0.36344(15) 0.0169(3) Uani 1 1 d . . . . .
C9 C 0.2316(3) 0.2121(2) 0.1880(2) 0.0249(5) Uani 0.762(4) 1 d D U P A 1
F7 F 0.3660(3) 0.2529(3) 0.2558(4) 0.0359(7) Uani 0.762(4) 1 d D U P A 1
F8 F 0.1866(2) 0.2721(2) 0.1164(2) 0.0483(7) Uani 0.762(4) 1 d D U P A 1
F9 F 0.1959(2) 0.09783(17) 0.10277(17) 0.0496(6) Uani 0.762(4) 1 d D U P A 1
C9A C 0.2344(8) 0.2444(6) 0.1980(6) 0.0249(5) Uani 0.238(4) 1 d D U P A 2
F8A F 0.2567(7) 0.3526(5) 0.2014(7) 0.0473(18) Uani 0.238(4) 1 d D U P A 2
F7A F 0.3486(9) 0.2165(8) 0.2327(11) 0.033(2) Uani 0.238(4) 1 d D U P A 2
F9A F 0.1481(6) 0.1671(6) 0.0729(5) 0.052(2) Uani 0.238(4) 1 d D U P A 2
C10 C -0.05344(17) 0.24720(17) 0.39182(17) 0.0237(3) Uani 1 1 d . . . . .
C11 C 0.24256(15) 0.15279(13) 0.80870(14) 0.0151(3) Uani 1 1 d . . . . .
C12 C 0.33268(15) 0.13894(14) 0.91747(15) 0.0162(3) Uani 1 1 d . . . . .
H12 H 0.3157 0.1137 0.9728 0.019 Uiso 1 1 calc R . . . .
C13 C 0.45347(15) 0.17087(13) 0.92582(14) 0.0148(3) Uani 1 1 d . . . . .
C14 C 0.09549(17) 0.13264(16) 0.75080(16) 0.0206(3) Uani 1 1 d . . . . .
C15 C 0.58632(16) 0.16662(14) 1.02043(15) 0.0187(3) Uani 1 1 d . . . . .
C16 C 0.31643(18) -0.03602(15) 0.43636(17) 0.0252(3) Uani 1 1 d . . . . .
H16 H 0.2361 -0.0399 0.3642 0.030 Uiso 1 1 calc R . . . .
C17 C 0.31025(19) -0.06268(16) 0.53000(19) 0.0285(4) Uani 1 1 d . . . . .
H17 H 0.2261 -0.0856 0.5217 0.034 Uiso 1 1 calc R . . . .
C18 C 0.4290(2) -0.05616(15) 0.63891(18) 0.0280(4) Uani 1 1 d . . . . .
H18 H 0.4247 -0.0744 0.7039 0.034 Uiso 1 1 calc R . . . .
C19 C 0.55042(18) -0.02346(15) 0.65058(17) 0.0251(3) Uani 1 1 d . . . . .
H19 H 0.6296 -0.0185 0.7247 0.030 Uiso 1 1 calc R . . . .
C20 C 0.56042(17) 0.00296(14) 0.55505(16) 0.0216(3) Uani 1 1 d . . . . .
C21 C 0.5954(2) 0.52965(16) 0.9238(2) 0.0307(4) Uani 1 1 d . . . . .
H21 H 0.6849 0.5453 0.9427 0.037 Uiso 1 1 calc R . . . .
C22 C 0.4941(2) 0.52461(17) 0.8087(2) 0.0351(5) Uani 1 1 d . . . . .
H22 H 0.5141 0.5366 0.7485 0.042 Uiso 1 1 calc R . . . .
C23 C 0.3611(2) 0.50181(17) 0.77924(19) 0.0353(4) Uani 1 1 d . . . . .
H23 H 0.2919 0.4987 0.6994 0.042 Uiso 1 1 calc R . . . .
C24 C 0.3309(2) 0.48403(16) 0.86535(19) 0.0301(4) Uani 1 1 d . . . . .
H24 H 0.2407 0.4687 0.8445 0.036 Uiso 1 1 calc R . . . .
C25 C 0.43275(19) 0.48831(14) 0.98516(17) 0.0245(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'
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
N6 Cu1 N1 178.26(5) . .
N2 Cu2 N3 173.08(6) . .
N5 Cu3 N4 173.75(6) . .
N2 N1 Cu1 119.00(10) . .
C1 N1 Cu1 133.09(10) . .
C1 N1 N2 107.38(12) . .
N1 N2 Cu2 119.60(10) . .
C3 N2 Cu2 132.75(11) . .
C3 N2 N1 107.43(12) . .
N4 N3 Cu2 118.17(10) . .
C6 N3 Cu2 132.63(11) . .
C6 N3 N4 107.41(12) . .
N3 N4 Cu3 118.29(10) . .
C8 N4 Cu3 133.46(11) . .
C8 N4 N3 107.47(12) . .
N6 N5 Cu3 119.66(10) . .
C11 N5 Cu3 132.70(11) . .
C11 N5 N6 107.63(12) . .
N5 N6 Cu1 119.86(9) . .
C13 N6 Cu1 132.68(11) . .
C13 N6 N5 107.45(12) . .
N1 C1 C2 111.16(13) . .
N1 C1 C4 120.15(14) . .
C2 C1 C4 128.69(14) . .
C1 C2 H2 128.5 . .
C3 C2 C1 103.08(13) . .
C3 C2 H2 128.5 . .
N2 C3 C2 110.95(13) . .
N2 C3 C5 120.73(13) . .
C2 C3 C5 128.30(14) . .
F1 C4 F2 107.69(13) . .
F1 C4 F3 107.07(12) . .
F1 C4 C1 110.96(13) . .
F2 C4 F3 105.89(13) . .
F2 C4 C1 112.62(13) . .
F3 C4 C1 112.28(13) . .
F4 C5 F5 107.14(13) . .
F4 C5 C3 111.02(13) . .
F5 C5 C3 111.75(13) . .
F6 C5 F4 107.07(13) . .
F6 C5 F5 106.29(13) . .
F6 C5 C3 113.22(13) . .
N3 C6 C7 110.85(14) . .
N3 C6 C9 120.45(16) . .
N3 C6 C9A 123.1(3) . .
C7 C6 C9 128.53(16) . .
C7 C6 C9A 124.8(3) . .
C6 C7 H7 128.3 . .
C6 C7 C8 103.30(13) . .
C8 C7 H7 128.3 . .
N4 C8 C7 110.96(14) . .
N4 C8 C10 121.92(14) . .
C7 C8 C10 127.11(14) . .
F7 C9 C6 112.0(3) . .
F8 C9 C6 110.6(2) . .
F8 C9 F7 107.1(3) . .
F8 C9 F9 106.4(2) . .
F9 C9 C6 113.7(2) . .
F9 C9 F7 106.6(2) . .
F8A C9A C6 116.2(6) . .
F8A C9A F7A 108.0(6) . .
F8A C9A F9A 106.9(6) . .
F7A C9A C6 111.1(9) . .
F9A C9A C6 108.0(5) . .
F9A C9A F7A 106.1(6) . .
F10 C10 C8 112.56(15) . .
F11 C10 F10 105.77(14) . .
F11 C10 F12 107.42(16) . .
F11 C10 C8 110.95(14) . .
F12 C10 F10 107.22(16) . .
F12 C10 C8 112.54(14) . .
N5 C11 C12 110.84(13) . .
N5 C11 C14 120.80(13) . .
C12 C11 C14 128.35(14) . .
C11 C12 H12 128.5 . .
C13 C12 C11 103.07(13) . .
C13 C12 H12 128.5 . .
N6 C13 C12 111.01(13) . .
N6 C13 C15 121.44(14) . .
C12 C13 C15 127.44(14) . .
F13 C14 C11 112.47(13) . .
F14 C14 F13 105.97(14) . .
F14 C14 C11 112.58(14) . .
F15 C14 F13 106.72(15) . .
F15 C14 F14 107.07(14) . .
F15 C14 C11 111.61(13) . .
F16 C15 F17 105.81(13) . .
F16 C15 C13 112.98(13) . .
F17 C15 C13 112.07(13) . .
F18 C15 F16 107.67(13) . .
F18 C15 F17 106.87(13) . .
F18 C15 C13 111.07(13) . .
C17 C16 H16 119.3 . .
C17 C16 C20 121.41(17) . 2_656
C20 C16 H16 119.3 2_656 .
C16 C17 H17 120.0 . .
C16 C17 C18 120.04(17) . .
C18 C17 H17 120.0 . .
C17 C18 H18 120.0 . .
C19 C18 C17 119.95(17) . .
C19 C18 H18 120.0 . .
C18 C19 H19 119.2 . .
C18 C19 C20 121.59(17) . .
C20 C19 H19 119.2 . .
C16 C20 C19 122.99(16) 2_656 .
C16 C20 C20 118.7(2) 2_656 2_656
C19 C20 C20 118.3(2) . 2_656
C22 C21 H21 119.8 . .
C22 C21 C25 120.47(19) . 2_667
C25 C21 H21 119.8 2_667 .
C21 C22 H22 119.7 . .
C21 C22 C23 120.54(18) . .
C23 C22 H22 119.7 . .
C22 C23 H23 119.8 . .
C24 C23 C22 120.31(19) . .
C24 C23 H23 119.8 . .
C23 C24 H24 119.6 . .
C23 C24 C25 120.8(2) . .
C25 C24 H24 119.6 . .
C21 C25 C25 119.1(2) 2_667 2_667
C24 C25 C21 122.09(19) . 2_667
C24 C25 C25 118.8(2) . 2_667
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N1 1.8720(13) .
Cu1 N6 1.8719(13) .
Cu2 N2 1.8671(13) .
Cu2 N3 1.8738(13) .
Cu3 N4 1.8770(13) .
Cu3 N5 1.8757(13) .
F1 C4 1.3358(18) .
F2 C4 1.3441(19) .
F3 C4 1.3476(19) .
F4 C5 1.3355(19) .
F5 C5 1.3440(19) .
F6 C5 1.3351(19) .
F10 C10 1.334(2) .
F11 C10 1.329(2) .
F12 C10 1.331(2) .
F13 C14 1.337(2) .
F14 C14 1.335(2) .
F15 C14 1.3292(19) .
F16 C15 1.3365(19) .
F17 C15 1.341(2) .
F18 C15 1.3346(19) .
N1 N2 1.3619(17) .
N1 C1 1.3451(19) .
N2 C3 1.3495(19) .
N3 N4 1.3617(18) .
N3 C6 1.3493(19) .
N4 C8 1.3442(19) .
N5 N6 1.3570(17) .
N5 C11 1.3462(19) .
N6 C13 1.3457(19) .
C1 C2 1.385(2) .
C1 C4 1.492(2) .
C2 H2 0.9500 .
C2 C3 1.383(2) .
C3 C5 1.493(2) .
C6 C7 1.381(2) .
C6 C9 1.502(3) .
C6 C9A 1.491(7) .
C7 H7 0.9500 .
C7 C8 1.384(2) .
C8 C10 1.495(2) .
C9 F7 1.340(3) .
C9 F8 1.329(3) .
C9 F9 1.338(3) .
C9A F8A 1.329(5) .
C9A F7A 1.334(5) .
C9A F9A 1.329(5) .
C11 C12 1.385(2) .
C11 C14 1.491(2) .
C12 H12 0.9500 .
C12 C13 1.384(2) .
C13 C15 1.493(2) .
C16 H16 0.9500 .
C16 C17 1.371(3) .
C16 C20 1.412(3) 2_656
C17 H17 0.9500 .
C17 C18 1.414(3) .
C18 H18 0.9500 .
C18 C19 1.372(3) .
C19 H19 0.9500 .
C19 C20 1.413(3) .
C20 C16 1.412(3) 2_656
C20 C20 1.438(3) 2_656
C21 H21 0.9500 .
C21 C22 1.373(3) .
C21 C25 1.420(3) 2_667
C22 H22 0.9500 .
C22 C23 1.406(3) .
C23 H23 0.9500 .
C23 C24 1.373(3) .
C24 H24 0.9500 .
C24 C25 1.419(3) .
C25 C21 1.420(3) 2_667
C25 C25 1.422(4) 2_667
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
Cu1 N1 N2 Cu2 -12.60(14) . .
Cu1 N1 N2 C3 172.12(9) . .
Cu1 N1 C1 C2 -170.85(11) . .
Cu1 N1 C1 C4 8.7(2) . .
Cu1 N6 C13 C12 -178.59(11) . .
Cu1 N6 C13 C15 -2.2(2) . .
Cu2 N2 C3 C2 -173.84(11) . .
Cu2 N2 C3 C5 7.8(2) . .
Cu2 N3 N4 Cu3 -22.60(15) . .
Cu2 N3 N4 C8 166.16(10) . .
Cu2 N3 C6 C7 -163.80(12) . .
Cu2 N3 C6 C9 20.5(3) . .
Cu2 N3 C6 C9A 4.0(4) . .
Cu3 N4 C8 C7 -168.67(12) . .
Cu3 N4 C8 C10 12.6(2) . .
Cu3 N5 N6 Cu1 -0.21(15) . .
Cu3 N5 N6 C13 -179.14(10) . .
Cu3 N5 C11 C12 178.92(11) . .
Cu3 N5 C11 C14 -1.6(2) . .
N1 N2 C3 C2 0.57(17) . .
N1 N2 C3 C5 -177.82(13) . .
N1 C1 C2 C3 -0.05(17) . .
N1 C1 C4 F1 -177.63(13) . .
N1 C1 C4 F2 61.57(19) . .
N1 C1 C4 F3 -57.86(18) . .
N2 N1 C1 C2 0.40(16) . .
N2 N1 C1 C4 179.97(13) . .
N2 C3 C5 F4 169.05(13) . .
N2 C3 C5 F5 49.5(2) . .
N2 C3 C5 F6 -70.48(18) . .
N3 N4 C8 C7 0.69(18) . .
N3 N4 C8 C10 -178.07(15) . .
N3 C6 C7 C8 0.23(19) . .
N3 C6 C9 F7 -25.7(3) . .
N3 C6 C9 F8 -145.1(2) . .
N3 C6 C9 F9 95.2(2) . .
N3 C6 C9A F8A -98.8(6) . .
N3 C6 C9A F7A 25.1(6) . .
N3 C6 C9A F9A 141.1(4) . .
N4 N3 C6 C7 0.17(19) . .
N4 N3 C6 C9 -175.54(17) . .
N4 N3 C6 C9A 168.0(3) . .
N4 C8 C10 F10 -106.67(18) . .
N4 C8 C10 F11 135.02(16) . .
N4 C8 C10 F12 14.6(2) . .
N5 N6 C13 C12 0.15(17) . .
N5 N6 C13 C15 176.55(13) . .
N5 C11 C12 C13 -0.04(17) . .
N5 C11 C14 F13 53.4(2) . .
N5 C11 C14 F14 -66.23(19) . .
N5 C11 C14 F15 173.32(14) . .
N6 N5 C11 C12 0.14(17) . .
N6 N5 C11 C14 179.57(13) . .
N6 C13 C15 F16 35.0(2) . .
N6 C13 C15 F17 -84.42(18) . .
N6 C13 C15 F18 156.13(14) . .
C1 N1 N2 Cu2 174.70(10) . .
C1 N1 N2 C3 -0.58(15) . .
C1 C2 C3 N2 -0.32(17) . .
C1 C2 C3 C5 177.92(15) . .
C2 C1 C4 F1 1.9(2) . .
C2 C1 C4 F2 -118.94(17) . .
C2 C1 C4 F3 121.63(17) . .
C2 C3 C5 F4 -9.0(2) . .
C2 C3 C5 F5 -128.59(17) . .
C2 C3 C5 F6 111.43(18) . .
C4 C1 C2 C3 -179.58(15) . .
C6 N3 N4 Cu3 170.73(11) . .
C6 N3 N4 C8 -0.51(17) . .
C6 C7 C8 N4 -0.56(19) . .
C6 C7 C8 C10 178.11(17) . .
C7 C6 C9 F7 159.4(2) . .
C7 C6 C9 F8 40.0(3) . .
C7 C6 C9 F9 -79.7(3) . .
C7 C6 C9A F8A 67.3(6) . .
C7 C6 C9A F7A -168.8(4) . .
C7 C6 C9A F9A -52.8(6) . .
C7 C8 C10 F10 74.8(2) . .
C7 C8 C10 F11 -43.5(2) . .
C7 C8 C10 F12 -163.91(18) . .
C9 C6 C7 C8 175.50(19) . .
C9A C6 C7 C8 -167.3(3) . .
C11 N5 N6 Cu1 178.76(10) . .
C11 N5 N6 C13 -0.17(16) . .
C11 C12 C13 N6 -0.07(17) . .
C11 C12 C13 C15 -176.19(15) . .
C12 C11 C14 F13 -127.27(17) . .
C12 C11 C14 F14 113.10(18) . .
C12 C11 C14 F15 -7.3(2) . .
C12 C13 C15 F16 -149.22(15) . .
C12 C13 C15 F17 91.34(19) . .
C12 C13 C15 F18 -28.1(2) . .
C14 C11 C12 C13 -179.42(15) . .
C16 C17 C18 C19 -0.2(3) . .
C17 C18 C19 C20 -0.7(3) . .
C18 C19 C20 C16 -179.53(16) . 2_656
C18 C19 C20 C20 1.2(3) . 2_656
C20 C16 C17 C18 0.7(3) 2_656 .
C21 C22 C23 C24 -0.1(3) . .
C22 C23 C24 C25 0.0(3) . .
C23 C24 C25 C21 179.97(16) . 2_667
C23 C24 C25 C25 0.2(3) . 2_667
C25 C21 C22 C23 0.1(3) 2_667 .
