#------------------------------------------------------------------------------
#$Date: 2019-11-11 15:10:12 +0200 (Mon, 11 Nov 2019) $
#$Revision: 226321 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/03/48/4034801.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_4034801
loop_
_publ_author_name
'Xiao, Zhiwei'
'Liu, Yongan'
'Zheng, Liping'
'Liu, Chao'
'Guo, Yong'
'Chen, Qing-Yun'
_publ_section_title
;
 Oxidative Radical Intermolecular Trifluoromethylthioarylation of Styrenes
 by Arenediazonium Salts and Copper(I) Trifluoromethylthiolate.
;
_journal_issue                   10
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              5836
_journal_page_last               5843
_journal_paper_doi               10.1021/acs.joc.8b00650
_journal_volume                  83
_journal_year                    2018
_chemical_formula_sum            'C2.6 H2.4 Cu F3 N0.8 S'
_chemical_formula_weight         197.45
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 101.083(2)
_cell_angle_gamma                90
_cell_formula_units_Z            20
_cell_length_a                   12.3929(13)
_cell_length_b                   18.2045(19)
_cell_length_c                   14.0510(14)
_cell_measurement_reflns_used    6561
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.13
_cell_measurement_theta_min      2.30
_cell_volume                     3110.9(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.993
_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  0.0326
_diffrn_reflns_av_unetI/netI     0.0371
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            22265
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.444
_diffrn_reflns_theta_min         1.853
_exptl_absorpt_coefficient_mu    3.802
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.530
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    2.108
_exptl_crystal_description       block
_exptl_crystal_F_000             1912
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.575
_refine_diff_density_min         -0.382
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     408
_refine_ls_number_reflns         7064
_refine_ls_number_restraints     54
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0508
_refine_ls_R_factor_gt           0.0288
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0419P)²+1.0663P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0754
_refine_ls_wR_factor_ref         0.0861
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5280
_reflns_number_total             7064
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            jo8b00650_si_002.cif
_cod_data_source_block           mo_60419b
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C2.60 H2.40 Cu F3 N0.80 S'
_cod_database_code               4034801
_shelx_shelxl_version_number     2014/7
_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_min   0.326
_shelx_estimated_absorpt_t_max   0.702
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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_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 0.02082(3) 0.11155(2) 0.68279(3) 0.03394(10) Uani 1 1 d . . . . .
Cu2 Cu -0.21388(3) 0.09677(2) 0.53803(3) 0.03712(11) Uani 1 1 d . . . . .
Cu3 Cu 0.02146(3) 0.08768(2) 0.38884(3) 0.03532(11) Uani 1 1 d . . . . .
Cu4 Cu 0.22573(3) 0.04606(2) 0.65007(3) 0.03386(10) Uani 1 1 d . . . . .
Cu5 Cu 0.22069(4) 0.11031(3) 0.83499(4) 0.04819(13) Uani 1 1 d . . . . .
S1 S 0.08357(7) 0.19016(5) 0.80069(7) 0.0457(2) Uani 1 1 d . . . . .
S2 S -0.10229(6) 0.02147(4) 0.64659(5) 0.02886(16) Uani 1 1 d . . . . .
S3 S -0.16304(6) 0.06646(4) 0.39226(6) 0.02973(17) Uani 1 1 d . . . . .
S4 S 0.10323(6) 0.11900(4) 0.54916(6) 0.02962(16) Uani 1 1 d . . . . .
S5 S 0.35707(7) 0.10473(5) 0.75112(8) 0.0501(2) Uani 1 1 d . . . . .
N1 N 0.2277(3) 0.0343(2) 0.9355(3) 0.0608(9) Uani 1 1 d . . . . .
N2 N -0.3774(2) 0.09087(16) 0.5230(2) 0.0425(7) Uani 1 1 d . . . . .
N3 N 0.0480(3) 0.16773(16) 0.3035(2) 0.0439(7) Uani 1 1 d . . . . .
N4 N -0.1777(2) 0.20388(16) 0.5719(2) 0.0432(7) Uani 1 1 d . . . . .
C1 C 0.0045(4) 0.1799(3) 0.8930(4) 0.0670(13) Uani 1 1 d . . . . .
C2 C -0.1687(3) 0.0031(2) 0.7465(3) 0.0418(8) Uani 1 1 d . . . . .
C3 C -0.2329(3) 0.13266(18) 0.3076(3) 0.0425(8) Uani 1 1 d . . . . .
C4 C 0.1562(3) 0.21048(17) 0.5472(3) 0.0379(8) Uani 1 1 d . . . . .
C6 C 0.2315(3) -0.0238(2) 0.9651(3) 0.0491(9) Uani 1 1 d . . . . .
C7 C 0.2396(4) -0.0981(2) 1.0012(3) 0.0555(10) Uani 1 1 d . . . . .
H7A H 0.3049 -0.1216 0.9851 0.083 Uiso 1 1 calc R U . . .
H7B H 0.1738 -0.1256 0.9713 0.083 Uiso 1 1 calc R U . . .
H7C H 0.2455 -0.0975 1.0718 0.083 Uiso 1 1 calc R U . . .
C8 C -0.4688(3) 0.09591(19) 0.4997(3) 0.0422(8) Uani 1 1 d . . . . .
C9 C -0.5867(3) 0.1041(3) 0.4683(4) 0.0798(17) Uani 1 1 d . . . . .
H9A H -0.6033 0.1540 0.4439 0.120 Uiso 1 1 calc R U . . .
H9B H -0.6232 0.0950 0.5232 0.120 Uiso 1 1 calc R U . . .
H9C H -0.6132 0.0687 0.4165 0.120 Uiso 1 1 calc R U . . .
C10 C 0.0708(3) 0.21623(19) 0.2612(3) 0.0420(8) Uani 1 1 d . . . . .
C11 C 0.0988(4) 0.2790(2) 0.2066(4) 0.0726(14) Uani 1 1 d . . . . .
H11A H 0.1694 0.2994 0.2392 0.109 Uiso 1 1 calc R U . . .
H11B H 0.0415 0.3166 0.2027 0.109 Uiso 1 1 calc R U . . .
H11C H 0.1043 0.2632 0.1410 0.109 Uiso 1 1 calc R U . . .
C12 C -0.1495(3) 0.2620(2) 0.5897(3) 0.0473(9) Uani 1 1 d . . . . .
C13 C -0.1093(4) 0.3365(2) 0.6151(4) 0.0797(15) Uani 1 1 d . . . . .
H13A H -0.1590 0.3613 0.6512 0.120 Uiso 1 1 calc R U . . .
H13B H -0.1065 0.3641 0.5557 0.120 Uiso 1 1 calc R U . . .
H13C H -0.0355 0.3340 0.6554 0.120 Uiso 1 1 calc R U . . .
F1 F -0.0979(3) 0.20631(17) 0.8660(3) 0.0980(10) Uani 1 1 d . . . . .
F2 F -0.0084(2) 0.11117(15) 0.92170(18) 0.0706(7) Uani 1 1 d . . . . .
F3 F 0.0481(3) 0.2175(2) 0.9711(3) 0.1342(16) Uani 1 1 d . U . . .
F4 F -0.24487(19) -0.04959(13) 0.72505(17) 0.0630(7) Uani 1 1 d . . . . .
F5 F -0.0997(2) -0.02036(14) 0.82492(15) 0.0604(6) Uani 1 1 d . . . . .
F6 F -0.22014(19) 0.06190(13) 0.77265(17) 0.0602(6) Uani 1 1 d . . . . .
F7 F -0.19750(18) 0.20043(10) 0.33075(17) 0.0534(6) Uani 1 1 d . . . . .
F8 F -0.2161(2) 0.12010(12) 0.21740(15) 0.0602(6) Uani 1 1 d . . . . .
F9 F -0.34148(17) 0.13256(12) 0.30297(18) 0.0575(6) Uani 1 1 d . . . . .
F10 F 0.22462(17) 0.21763(11) 0.48503(17) 0.0531(6) Uani 1 1 d . . . . .
F11 F 0.07610(18) 0.25936(11) 0.5172(2) 0.0632(7) Uani 1 1 d . . . . .
F12 F 0.2103(2) 0.23364(12) 0.63192(17) 0.0671(7) Uani 1 1 d . . . . .
C5 C 0.4502(18) 0.041(2) 0.8245(18) 0.065(3) Uani 0.44(4) 1 d D U P A 1
F13 F 0.408(6) -0.024(3) 0.840(4) 0.0697(17) Uani 0.44(4) 1 d D U P A 1
F14 F 0.5348(12) 0.0287(10) 0.781(2) 0.091(6) Uani 0.44(4) 1 d D U P A 1
F15 F 0.4925(17) 0.0671(7) 0.9126(13) 0.089(5) Uani 0.44(4) 1 d D U P A 1
C5' C 0.4569(14) 0.0372(17) 0.7973(18) 0.065(3) Uani 0.56(4) 1 d D . P A 2
F13' F 0.419(4) -0.020(3) 0.841(3) 0.0697(17) Uani 0.56(4) 1 d D . P A 2
F14' F 0.5089(11) 0.0072(9) 0.7304(16) 0.098(4) Uani 0.56(4) 1 d D U P A 2
F15' F 0.5365(13) 0.0674(6) 0.863(2) 0.121(8) Uani 0.56(4) 1 d D U P A 2
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'
S S 0.1246 0.1234 '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
S1 Cu1 S2 140.55(4) . .
S1 Cu1 S4 115.10(3) . .
S2 Cu1 S4 104.36(3) . .
S1 Cu1 Cu4 100.99(3) . .
S2 Cu1 Cu4 103.96(3) . .
S4 Cu1 Cu4 50.33(2) . .
S1 Cu1 Cu5 48.41(3) . .
S2 Cu1 Cu5 127.07(3) . .
S4 Cu1 Cu5 98.59(3) . .
Cu4 Cu1 Cu5 58.386(16) . .
N2 Cu2 N4 104.45(12) . .
N2 Cu2 S2 120.34(9) . .
N4 Cu2 S2 109.75(9) . .
N2 Cu2 S3 109.60(9) . .
N4 Cu2 S3 110.39(9) . .
S2 Cu2 S3 102.27(3) . .
N3 Cu3 S2 112.07(9) . 3_556
N3 Cu3 S3 114.71(9) . .
S2 Cu3 S3 109.16(3) 3_556 .
N3 Cu3 S4 108.31(9) . .
S2 Cu3 S4 106.75(3) 3_556 .
S3 Cu3 S4 105.31(3) . .
S5 Cu4 S3 142.02(4) . 3_556
S5 Cu4 S4 115.75(4) . .
S3 Cu4 S4 102.23(3) 3_556 .
S5 Cu4 Cu5 50.44(3) . .
S3 Cu4 Cu5 123.39(3) 3_556 .
S4 Cu4 Cu5 101.39(3) . .
S5 Cu4 Cu1 104.83(3) . .
S3 Cu4 Cu1 98.51(2) 3_556 .
S4 Cu4 Cu1 50.81(2) . .
Cu5 Cu4 Cu1 61.231(15) . .
N1 Cu5 S1 122.89(11) . .
N1 Cu5 S5 114.35(11) . .
S1 Cu5 S5 122.63(4) . .
N1 Cu5 Cu4 111.05(11) . .
S1 Cu5 Cu4 102.72(3) . .
S5 Cu5 Cu4 49.72(3) . .
N1 Cu5 Cu1 116.21(11) . .
S1 Cu5 Cu1 48.30(3) . .
S5 Cu5 Cu1 103.45(3) . .
Cu4 Cu5 Cu1 60.383(15) . .
C1 S1 Cu1 108.31(14) . .
C1 S1 Cu5 106.20(18) . .
Cu1 S1 Cu5 83.29(3) . .
C2 S2 Cu1 110.86(12) . .
C2 S2 Cu2 108.79(13) . .
Cu1 S2 Cu2 90.62(3) . .
C2 S2 Cu3 106.90(12) . 3_556
Cu1 S2 Cu3 111.94(3) . 3_556
Cu2 S2 Cu3 126.58(4) . 3_556
C3 S3 Cu4 109.94(12) . 3_556
C3 S3 Cu2 104.31(12) . .
Cu4 S3 Cu2 108.28(3) 3_556 .
C3 S3 Cu3 103.02(13) . .
Cu4 S3 Cu3 116.10(3) 3_556 .
Cu2 S3 Cu3 114.38(4) . .
C4 S4 Cu4 110.28(12) . .
C4 S4 Cu1 106.72(11) . .
Cu4 S4 Cu1 78.85(3) . .
C4 S4 Cu3 107.59(12) . .
Cu4 S4 Cu3 124.30(4) . .
Cu1 S4 Cu3 125.99(4) . .
C5' S5 Cu4 105.9(7) . .
C5 S5 Cu4 111.6(9) . .
C5' S5 Cu5 112.4(8) . .
C5 S5 Cu5 101.1(8) . .
Cu4 S5 Cu5 79.84(3) . .
C6 N1 Cu5 155.7(3) . .
C8 N2 Cu2 166.7(3) . .
C10 N3 Cu3 173.5(3) . .
C12 N4 Cu2 174.6(3) . .
F3 C1 F2 106.8(4) . .
F3 C1 F1 105.2(4) . .
F2 C1 F1 105.0(4) . .
F3 C1 S1 111.0(3) . .
F2 C1 S1 115.7(3) . .
F1 C1 S1 112.4(4) . .
F5 C2 F6 107.1(3) . .
F5 C2 F4 105.6(3) . .
F6 C2 F4 106.5(3) . .
F5 C2 S2 113.0(2) . .
F6 C2 S2 112.5(2) . .
F4 C2 S2 111.6(2) . .
F7 C3 F9 107.2(3) . .
F7 C3 F8 106.6(3) . .
F9 C3 F8 107.0(3) . .
F7 C3 S3 111.5(2) . .
F9 C3 S3 112.6(3) . .
F8 C3 S3 111.6(2) . .
F12 C4 F10 106.5(3) . .
F12 C4 F11 106.8(3) . .
F10 C4 F11 104.7(3) . .
F12 C4 S4 114.1(2) . .
F10 C4 S4 112.4(2) . .
F11 C4 S4 111.7(2) . .
N1 C6 C7 178.1(4) . .
N2 C8 C9 178.6(5) . .
N3 C10 C11 179.3(4) . .
N4 C12 C13 177.9(4) . .
F15 C5 F13 105(2) . .
F15 C5 F14 106.7(15) . .
F13 C5 F14 107(2) . .
F15 C5 S5 114(2) . .
F13 C5 S5 116(4) . .
F14 C5 S5 109(2) . .
F15' C5' F13' 106.1(17) . .
F15' C5' F14' 105.0(12) . .
F13' C5' F14' 105.3(16) . .
F15' C5' S5 109.8(17) . .
F13' C5' S5 115(3) . .
F14' C5' S5 114.6(17) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 S1 2.2139(10) .
Cu1 S2 2.2310(8) .
Cu1 S4 2.3074(9) .
Cu1 Cu4 2.9207(6) .
Cu1 Cu5 2.9450(6) .
Cu2 N2 1.999(3) .
Cu2 N4 2.037(3) .
Cu2 S2 2.3038(9) .
Cu2 S3 2.3222(9) .
Cu3 N3 1.955(3) .
Cu3 S2 2.3220(8) 3_556
Cu3 S3 2.3285(9) .
Cu3 S4 2.3555(9) .
Cu4 S5 2.2176(10) .
Cu4 S3 2.2305(9) 3_556
Cu4 S4 2.2916(8) .
Cu4 Cu5 2.8611(7) .
Cu5 N1 1.967(4) .
Cu5 S1 2.2177(11) .
Cu5 S5 2.2409(12) .
S1 C1 1.779(5) .
S2 C2 1.790(3) .
S2 Cu3 2.3220(8) 3_556
S3 C3 1.795(3) .
S3 Cu4 2.2306(9) 3_556
S4 C4 1.792(3) .
S5 C5' 1.78(3) .
S5 C5 1.81(4) .
N1 C6 1.135(5) .
N2 C8 1.121(4) .
N3 C10 1.130(4) .
N4 C12 1.127(5) .
C1 F3 1.318(5) .
C1 F2 1.334(5) .
C1 F1 1.342(6) .
C2 F5 1.329(4) .
C2 F6 1.333(4) .
C2 F4 1.338(4) .
C3 F7 1.329(4) .
C3 F9 1.335(4) .
C3 F8 1.343(4) .
C4 F12 1.317(4) .
C4 F10 1.336(4) .
C4 F11 1.340(4) .
C6 C7 1.440(6) .
C8 C9 1.451(5) .
C10 C11 1.455(5) .
C12 C13 1.466(6) .
C5 F15 1.333(17) .
C5 F13 1.335(17) .
C5 F14 1.335(17) .
C5' F15' 1.333(14) .
C5' F13' 1.333(15) .
C5' F14' 1.355(14) .
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
Cu1 S1 C1 F3 170.8(4) .
Cu5 S1 C1 F3 82.6(4) .
Cu1 S1 C1 F2 49.0(4) .
Cu5 S1 C1 F2 -39.2(4) .
Cu1 S1 C1 F1 -71.7(3) .
Cu5 S1 C1 F1 -159.8(3) .
Cu1 S2 C2 F5 -62.7(3) .
Cu2 S2 C2 F5 -160.8(2) .
Cu3 S2 C2 F5 59.6(3) 3_556
Cu1 S2 C2 F6 58.8(3) .
Cu2 S2 C2 F6 -39.4(3) .
Cu3 S2 C2 F6 -179.0(2) 3_556
Cu1 S2 C2 F4 178.4(2) .
Cu2 S2 C2 F4 80.3(3) .
Cu3 S2 C2 F4 -59.3(3) 3_556
Cu4 S3 C3 F7 180.0(2) 3_556
Cu2 S3 C3 F7 64.0(3) .
Cu3 S3 C3 F7 -55.7(3) .
Cu4 S3 C3 F9 59.4(3) 3_556
Cu2 S3 C3 F9 -56.5(3) .
Cu3 S3 C3 F9 -176.2(2) .
Cu4 S3 C3 F8 -60.9(3) 3_556
Cu2 S3 C3 F8 -176.9(2) .
Cu3 S3 C3 F8 63.4(3) .
Cu4 S4 C4 F12 -37.9(3) .
Cu1 S4 C4 F12 46.2(3) .
Cu3 S4 C4 F12 -176.2(2) .
Cu4 S4 C4 F10 83.5(2) .
Cu1 S4 C4 F10 167.5(2) .
Cu3 S4 C4 F10 -54.9(3) .
Cu4 S4 C4 F11 -159.2(2) .
Cu1 S4 C4 F11 -75.2(3) .
Cu3 S4 C4 F11 62.5(3) .
Cu4 S5 C5 F15 -148.4(17) .
Cu5 S5 C5 F15 -65.0(19) .
Cu4 S5 C5 F13 -27(2) .
Cu5 S5 C5 F13 56(2) .
Cu4 S5 C5 F14 93.1(19) .
Cu5 S5 C5 F14 176.5(17) .
Cu4 S5 C5' F15' -176.8(13) .
Cu5 S5 C5' F15' -91.4(15) .
Cu4 S5 C5' F13' -57.1(18) .
Cu5 S5 C5' F13' 28.2(19) .
Cu4 S5 C5' F14' 65.4(17) .
Cu5 S5 C5' F14' 150.7(14) .
