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#$Date: 2022-12-07 12:34:26 +0200 (Wed, 07 Dec 2022) $
#$Revision: 279781 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/63/8106366.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_8106366
loop_
_publ_author_name
'Sun, Hong'
'Wang, Gao-Feng'
_publ_section_title
;
 Crystal structure of
 catena-poly[(μ2-1-(4-(1H-pyrazol-1-yl)phenyl)ethan-1-one-κ2
 N:O)-bis(1,1,1-trifluoro-4-oxo-4-(thiophen-2-yl)but-2-en-2-olato-κ2
 O,O′)copper(II)], C27H18CuF6N2O5S2
;
_journal_issue                   6
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              969
_journal_page_last               971
_journal_paper_doi               10.1515/ncrs-2017-0352
_journal_volume                  233
_journal_year                    2018
_chemical_formula_sum            'C27 H18 Cu F6 N2 O5 S2'
_chemical_formula_weight         692.09
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                90.430(4)
_cell_angle_beta                 100.711(5)
_cell_angle_gamma                110.753(5)
_cell_formula_units_Z            2
_cell_length_a                   9.3162(5)
_cell_length_b                   10.1290(6)
_cell_length_c                   16.4352(9)
_cell_measurement_reflns_used    3707
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.6980
_cell_measurement_theta_min      3.7430
_cell_volume                     1420.44(15)
_computing_cell_refinement       'CrysAlisPro [10]'
_computing_data_collection       'CrysAlisPro [10]'
_computing_data_reduction        'CrysAlisPro [10]'
_computing_molecular_graphics    'Diamond 3.2i [12]'
_computing_publication_material  'SHELXL-2014 [11]'
_computing_structure_refinement  'SHELXL-2014 [11]'
_computing_structure_solution    'SHELXS-2014 [11]'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0235
_diffrn_reflns_av_unetI/netI     0.0412
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            10139
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.348
_diffrn_reflns_theta_min         3.001
_diffrn_source                   '(Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.996
_exptl_absorpt_correction_T_max  0.8333
_exptl_absorpt_correction_T_min  0.7678
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.618
_exptl_crystal_description       block
_exptl_crystal_F_000             698
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.190
_refine_diff_density_max         1.020
_refine_diff_density_min         -0.611
_refine_diff_density_rms         0.073
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     389
_refine_ls_number_reflns         5187
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0728
_refine_ls_R_factor_gt           0.0559
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0758P)²+1.5897P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1471
_refine_ls_wR_factor_ref         0.1617
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3987
_reflns_number_total             5187
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_ncrs-2017-0352_suppl.cif
_cod_data_source_block           WGF-767
_cod_original_cell_volume        1420.45(14)
_cod_database_code               8106366
_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   0.768
_shelx_estimated_absorpt_t_max   0.833
_shelxl_version_number           2014-3
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
C1 C 1.1517(5) 0.6590(5) 0.1481(3) 0.0526(11) Uani 1 1 d . . . . .
C2 C 1.1050(5) 0.5418(4) 0.2068(2) 0.0428(9) Uani 1 1 d . . . . .
C3 C 1.2198(5) 0.5177(4) 0.2614(3) 0.0483(10) Uani 1 1 d . . . . .
H3 H 1.3232 0.5750 0.2620 0.058 Uiso 1 1 calc R U . . .
C4 C 1.1914(4) 0.4113(4) 0.3171(2) 0.0381(8) Uani 1 1 d . . . . .
C5 C 1.3224(5) 0.3852(4) 0.3691(2) 0.0395(9) Uani 1 1 d . . . . .
C6 C 1.4862(5) 0.4536(4) 0.3692(2) 0.0438(9) Uani 1 1 d . . . . .
H6 H 1.5299 0.5239 0.3355 0.053 Uiso 1 1 calc R U . . .
C7 C 1.5712(6) 0.3933(5) 0.4316(3) 0.0597(12) Uani 1 1 d . . . . .
H7 H 1.6799 0.4221 0.4429 0.072 Uiso 1 1 calc R U . . .
C8 C 1.4803(6) 0.2927(5) 0.4714(3) 0.0603(12) Uani 1 1 d . . . . .
H8 H 1.5198 0.2456 0.5130 0.072 Uiso 1 1 calc R U . . .
C9 C 0.5594(6) -0.0183(4) 0.3601(3) 0.0543(11) Uani 1 1 d . . . . .
C10 C 0.6070(5) 0.1101(4) 0.3105(2) 0.0432(9) Uani 1 1 d . . . . .
C11 C 0.4942(5) 0.1314(4) 0.2517(3) 0.0500(10) Uani 1 1 d . . . . .
H11 H 0.3928 0.0646 0.2428 0.060 Uiso 1 1 calc R U . . .
C12 C 0.5240(5) 0.2490(4) 0.2043(2) 0.0389(8) Uani 1 1 d . . . . .
C13 C 0.3962(5) 0.2707(4) 0.1460(2) 0.0467(10) Uani 1 1 d . . . . .
C14 C 0.2309(5) 0.1929(6) 0.1314(3) 0.0614(12) Uani 1 1 d . . . . .
H14 H 0.1805 0.1162 0.1595 0.074 Uiso 1 1 calc R U . . .
C15 C 0.1570(7) 0.2539(8) 0.0660(4) 0.0881(19) Uani 1 1 d . . . . .
H15 H 0.0495 0.2179 0.0451 0.106 Uiso 1 1 calc R U . . .
C16 C 0.2539(7) 0.3661(7) 0.0373(3) 0.0765(16) Uani 1 1 d . . . . .
H16 H 0.2209 0.4163 -0.0046 0.092 Uiso 1 1 calc R U . . .
C17 C 0.7614(6) 1.1848(5) 0.0763(3) 0.0545(11) Uani 1 1 d . . . . .
H17 H 0.7657 1.2766 0.0673 0.065 Uiso 1 1 calc R U . . .
C18 C 0.7014(6) 1.0751(5) 0.0153(3) 0.0675(14) Uani 1 1 d . . . . .
H18 H 0.6595 1.0777 -0.0403 0.081 Uiso 1 1 calc R U . . .
C19 C 0.7170(7) 0.9629(5) 0.0542(3) 0.0728(15) Uani 1 1 d . . . . .
H19 H 0.6878 0.8716 0.0298 0.087 Uiso 1 1 calc R U . . .
C20 C 0.8253(5) 0.9241(4) 0.1985(2) 0.0412(9) Uani 1 1 d . . . . .
C21 C 0.7493(5) 0.7781(4) 0.1908(3) 0.0490(10) Uani 1 1 d . . . . .
H21 H 0.6689 0.7351 0.1453 0.059 Uiso 1 1 calc R U . . .
C22 C 0.7922(5) 0.6972(4) 0.2499(3) 0.0484(10) Uani 1 1 d . . . . .
H22 H 0.7418 0.5993 0.2435 0.058 Uiso 1 1 calc R U . . .
C23 C 0.9102(5) 0.7591(4) 0.3194(2) 0.0412(9) Uani 1 1 d . . . . .
C24 C 0.9832(5) 0.9066(4) 0.3271(3) 0.0500(10) Uani 1 1 d . . . . .
H24 H 1.0604 0.9504 0.3737 0.060 Uiso 1 1 calc R U . . .
C25 C 0.9429(5) 0.9881(4) 0.2670(3) 0.0498(10) Uani 1 1 d . . . . .
H25 H 0.9946 1.0858 0.2724 0.060 Uiso 1 1 calc R U . . .
C26 C 0.9548(5) 0.6674(4) 0.3815(3) 0.0466(10) Uani 1 1 d . . . . .
C27 C 1.0708(7) 0.7327(5) 0.4612(3) 0.0757(15) Uani 1 1 d . . . . .
H27A H 1.0733 0.6599 0.4980 0.114 Uiso 1 1 calc R U . . .
H27B H 1.0398 0.8006 0.4872 0.114 Uiso 1 1 calc R U . . .
H27C H 1.1731 0.7790 0.4493 0.114 Uiso 1 1 calc R U . . .
Cu1 Cu 0.85687(5) 0.33336(4) 0.26454(3) 0.04122(19) Uani 1 1 d . . . . .
F1 F 1.1153(6) 0.7653(4) 0.1654(3) 0.1291(17) Uani 1 1 d . . . . .
F2 F 1.3025(4) 0.7073(4) 0.1458(2) 0.1046(13) Uani 1 1 d . . . . .
F3 F 1.0818(5) 0.6129(4) 0.07043(19) 0.1027(12) Uani 1 1 d . . . . .
F4 F 0.6254(7) 0.0066(5) 0.4360(2) 0.176(3) Uani 1 1 d . . . . .
F5 F 0.5812(8) -0.1212(4) 0.3319(4) 0.176(3) Uani 1 1 d . . . . .
F6 F 0.4112(5) -0.0669(5) 0.3641(3) 0.1426(19) Uani 1 1 d . . . . .
N1 N 0.7829(4) 1.0064(3) 0.1351(2) 0.0451(8) Uani 1 1 d . . . . .
N2 N 0.8125(5) 1.1456(3) 0.1492(2) 0.0504(9) Uani 1 1 d . . . . .
O1 O 0.9568(3) 0.4792(3) 0.19614(17) 0.0449(7) Uani 1 1 d . . . . .
O2 O 1.0552(3) 0.3319(3) 0.32513(16) 0.0437(6) Uani 1 1 d . . . . .
O3 O 0.7524(3) 0.1848(3) 0.33001(17) 0.0460(7) Uani 1 1 d . . . . .
O4 O 0.6589(3) 0.3430(3) 0.20816(16) 0.0423(6) Uani 1 1 d . . . . .
O5 O 0.8970(4) 0.5386(3) 0.36952(19) 0.0602(8) Uani 1 1 d . . . . .
S1 S 1.28717(15) 0.25957(13) 0.43926(8) 0.0647(4) Uani 1 1 d . . . . .
S2 S 0.44177(16) 0.40753(13) 0.08438(9) 0.0675(4) 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'
Cu Cu 0.3201 1.2651 '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'
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'
S S 0.1246 0.1234 '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'
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
F1 C1 F3 106.7(4) . .
F1 C1 F2 107.7(4) . .
F3 C1 F2 103.8(4) . .
F1 C1 C2 112.6(4) . .
F3 C1 C2 111.4(4) . .
F2 C1 C2 114.0(4) . .
O1 C2 C3 129.1(4) . .
O1 C2 C1 112.4(3) . .
C3 C2 C1 118.6(4) . .
C2 C3 C4 123.7(4) . .
C2 C3 H3 118.1 . .
C4 C3 H3 118.1 . .
O2 C4 C3 123.7(4) . .
O2 C4 C5 116.2(3) . .
C3 C4 C5 120.1(4) . .
C6 C5 C4 127.6(3) . .
C6 C5 S1 112.6(3) . .
C4 C5 S1 119.8(3) . .
C5 C6 C7 107.6(4) . .
C5 C6 H6 126.2 . .
C7 C6 H6 126.2 . .
C8 C7 C6 114.4(4) . .
C8 C7 H7 122.8 . .
C6 C7 H7 122.8 . .
C7 C8 S1 113.6(3) . .
C7 C8 H8 123.2 . .
S1 C8 H8 123.2 . .
F5 C9 F4 108.3(6) . .
F5 C9 F6 104.2(5) . .
F4 C9 F6 102.0(5) . .
F5 C9 C10 113.7(4) . .
F4 C9 C10 113.3(4) . .
F6 C9 C10 114.2(4) . .
O3 C10 C11 128.4(4) . .
O3 C10 C9 113.3(4) . .
C11 C10 C9 118.3(4) . .
C10 C11 C12 123.1(4) . .
C10 C11 H11 118.4 . .
C12 C11 H11 118.4 . .
O4 C12 C11 124.0(4) . .
O4 C12 C13 115.5(3) . .
C11 C12 C13 120.6(4) . .
C14 C13 C12 129.8(4) . .
C14 C13 S2 111.8(3) . .
C12 C13 S2 118.4(3) . .
C13 C14 C15 108.0(5) . .
C13 C14 H14 126.0 . .
C15 C14 H14 126.0 . .
C16 C15 C14 114.8(5) . .
C16 C15 H15 122.6 . .
C14 C15 H15 122.6 . .
C15 C16 S2 113.1(4) . .
C15 C16 H16 123.5 . .
S2 C16 H16 123.5 . .
N2 C17 C18 112.5(4) . .
N2 C17 H17 123.7 . .
C18 C17 H17 123.7 . .
C19 C18 C17 104.5(4) . .
C19 C18 H18 127.7 . .
C17 C18 H18 127.7 . .
C18 C19 N1 108.0(4) . .
C18 C19 H19 126.0 . .
N1 C19 H19 126.0 . .
C25 C20 C21 119.8(4) . .
C25 C20 N1 120.7(3) . .
C21 C20 N1 119.5(4) . .
C22 C21 C20 120.2(4) . .
C22 C21 H21 119.9 . .
C20 C21 H21 119.9 . .
C21 C22 C23 121.1(4) . .
C21 C22 H22 119.5 . .
C23 C22 H22 119.5 . .
C22 C23 C24 117.9(4) . .
C22 C23 C26 119.4(3) . .
C24 C23 C26 122.7(4) . .
C25 C24 C23 121.2(4) . .
C25 C24 H24 119.4 . .
C23 C24 H24 119.4 . .
C24 C25 C20 119.8(4) . .
C24 C25 H25 120.1 . .
C20 C25 H25 120.1 . .
O5 C26 C23 120.8(4) . .
O5 C26 C27 119.0(4) . .
C23 C26 C27 120.2(4) . .
C26 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C26 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
O2 Cu1 O3 88.50(11) . .
O2 Cu1 O1 92.77(11) . .
O3 Cu1 O1 178.31(11) . .
O2 Cu1 O4 176.85(11) . .
O3 Cu1 O4 91.68(11) . .
O1 Cu1 O4 87.11(11) . .
N2 N1 C19 110.5(3) . .
N2 N1 C20 122.1(3) . .
C19 N1 C20 127.3(3) . .
C17 N2 N1 104.4(3) . .
C2 O1 Cu1 123.2(2) . .
C4 O2 Cu1 127.2(2) . .
C10 O3 Cu1 123.1(2) . .
C12 O4 Cu1 126.4(2) . .
C8 S1 C5 91.8(2) . .
C16 S2 C13 92.4(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 F1 1.282(5) .
C1 F3 1.319(5) .
C1 F2 1.322(5) .
C1 C2 1.528(5) .
C2 O1 1.275(5) .
C2 C3 1.356(6) .
C3 C4 1.405(5) .
C3 H3 0.9300 .
C4 O2 1.270(4) .
C4 C5 1.461(5) .
C5 C6 1.435(6) .
C5 S1 1.710(4) .
C6 C7 1.449(6) .
C6 H6 0.9300 .
C7 C8 1.338(7) .
C7 H7 0.9300 .
C8 S1 1.686(5) .
C8 H8 0.9300 .
C9 F5 1.232(6) .
C9 F4 1.264(6) .
C9 F6 1.306(6) .
C9 C10 1.514(5) .
C10 O3 1.272(5) .
C10 C11 1.369(6) .
C11 C12 1.401(5) .
C11 H11 0.9300 .
C12 O4 1.270(4) .
C12 C13 1.466(5) .
C13 C14 1.431(6) .
C13 S2 1.700(4) .
C14 C15 1.432(7) .
C14 H14 0.9300 .
C15 C16 1.329(8) .
C15 H15 0.9300 .
C16 S2 1.676(5) .
C16 H16 0.9300 .
C17 N2 1.323(5) .
C17 C18 1.374(6) .
C17 H17 0.9300 .
C18 C19 1.347(7) .
C18 H18 0.9300 .
C19 N1 1.355(6) .
C19 H19 0.9300 .
C20 C25 1.383(6) .
C20 C21 1.388(5) .
C20 N1 1.425(5) .
C21 C22 1.370(6) .
C21 H21 0.9300 .
C22 C23 1.393(6) .
C22 H22 0.9300 .
C23 C24 1.399(5) .
C23 C26 1.485(5) .
C24 C25 1.376(6) .
C24 H24 0.9300 .
C25 H25 0.9300 .
C26 O5 1.221(5) .
C26 C27 1.509(6) .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
Cu1 O2 1.934(3) .
Cu1 O3 1.935(3) .
Cu1 O1 1.937(3) .
Cu1 O4 1.940(3) .
N1 N2 1.346(4) .
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
F1 C1 C2 O1 69.4(5) . . . .
F3 C1 C2 O1 -50.4(5) . . . .
F2 C1 C2 O1 -167.5(4) . . . .
F1 C1 C2 C3 -110.5(5) . . . .
F3 C1 C2 C3 129.6(4) . . . .
F2 C1 C2 C3 12.6(6) . . . .
O1 C2 C3 C4 1.5(7) . . . .
C1 C2 C3 C4 -178.6(4) . . . .
C2 C3 C4 O2 -4.0(7) . . . .
C2 C3 C4 C5 175.0(4) . . . .
O2 C4 C5 C6 176.4(4) . . . .
C3 C4 C5 C6 -2.7(6) . . . .
O2 C4 C5 S1 -3.1(5) . . . .
C3 C4 C5 S1 177.8(3) . . . .
C4 C5 C6 C7 179.6(4) . . . .
S1 C5 C6 C7 -0.8(4) . . . .
C5 C6 C7 C8 0.4(6) . . . .
C6 C7 C8 S1 0.2(6) . . . .
F5 C9 C10 O3 -83.7(6) . . . .
F4 C9 C10 O3 40.5(7) . . . .
F6 C9 C10 O3 156.8(4) . . . .
F5 C9 C10 C11 95.7(6) . . . .
F4 C9 C10 C11 -140.1(5) . . . .
F6 C9 C10 C11 -23.8(6) . . . .
O3 C10 C11 C12 -2.9(7) . . . .
C9 C10 C11 C12 177.8(4) . . . .
C10 C11 C12 O4 3.6(7) . . . .
C10 C11 C12 C13 -176.0(4) . . . .
O4 C12 C13 C14 -174.3(4) . . . .
C11 C12 C13 C14 5.3(7) . . . .
O4 C12 C13 S2 5.4(5) . . . .
C11 C12 C13 S2 -174.9(3) . . . .
C12 C13 C14 C15 -178.0(4) . . . .
S2 C13 C14 C15 2.2(5) . . . .
C13 C14 C15 C16 -2.0(7) . . . .
C14 C15 C16 S2 0.9(8) . . . .
N2 C17 C18 C19 0.2(6) . . . .
C17 C18 C19 N1 0.4(6) . . . .
C25 C20 C21 C22 -1.1(7) . . . .
N1 C20 C21 C22 177.9(4) . . . .
C20 C21 C22 C23 1.2(7) . . . .
C21 C22 C23 C24 0.2(7) . . . .
C21 C22 C23 C26 -179.2(4) . . . .
C22 C23 C24 C25 -1.7(7) . . . .
C26 C23 C24 C25 177.7(4) . . . .
C23 C24 C25 C20 1.7(7) . . . .
C21 C20 C25 C24 -0.3(7) . . . .
N1 C20 C25 C24 -179.3(4) . . . .
C22 C23 C26 O5 5.0(6) . . . .
C24 C23 C26 O5 -174.3(4) . . . .
C22 C23 C26 C27 -174.0(4) . . . .
C24 C23 C26 C27 6.7(7) . . . .
C18 C19 N1 N2 -0.9(6) . . . .
C18 C19 N1 C20 -177.8(4) . . . .
C25 C20 N1 N2 -22.5(6) . . . .
C21 C20 N1 N2 158.5(4) . . . .
C25 C20 N1 C19 154.1(5) . . . .
C21 C20 N1 C19 -25.0(7) . . . .
C18 C17 N2 N1 -0.8(5) . . . .
C19 N1 N2 C17 1.0(5) . . . .
C20 N1 N2 C17 178.1(4) . . . .
C3 C2 O1 Cu1 3.8(6) . . . .
C1 C2 O1 Cu1 -176.1(3) . . . .
C3 C4 O2 Cu1 0.9(6) . . . .
C5 C4 O2 Cu1 -178.2(2) . . . .
C11 C10 O3 Cu1 -11.6(6) . . . .
C9 C10 O3 Cu1 167.8(3) . . . .
C11 C12 O4 Cu1 10.7(5) . . . .
C13 C12 O4 Cu1 -169.7(2) . . . .
C7 C8 S1 C5 -0.5(4) . . . .
C6 C5 S1 C8 0.8(3) . . . .
C4 C5 S1 C8 -179.6(3) . . . .
C15 C16 S2 C13 0.4(5) . . . .
C14 C13 S2 C16 -1.5(4) . . . .
C12 C13 S2 C16 178.7(3) . . . .
