#------------------------------------------------------------------------------
#$Date: 2020-04-05 12:56:16 +0200 (dom 05 de abr de 2020) $
#$Revision: 250317 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/12/7701258.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_7701258
loop_
_publ_author_name
'Li, Jian-Fang'
'Du, Peng'
'Liu, Ying-Ying'
'Xu, Guo-Hai'
'Ma, Jian-Fang'
_publ_section_title
;
 Three thiacalix[4]arene-based Cu(i) coordination polymers: catalytic
 activities for azide-alkyne cycloaddition reactions and luminescence
 properties.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3715
_journal_page_last               3722
_journal_paper_doi               10.1039/c9dt03060c
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C64 H68 Br3 Cu3 N4 O4 S4'
_chemical_formula_sum            'C64 H68 Br3 Cu3 N4 O4 S4'
_chemical_formula_weight         1515.81
_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_method           SHELXL-2018/3
_audit_update_record
;
2019-09-12 deposited with the CCDC.    2019-09-12 downloaded from the CCDC.
;
_cell_angle_alpha                108.212(5)
_cell_angle_beta                 91.375(4)
_cell_angle_gamma                99.797(5)
_cell_formula_units_Z            2
_cell_length_a                   10.9843(7)
_cell_length_b                   16.0778(11)
_cell_length_c                   19.4622(10)
_cell_measurement_reflns_used    5180
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.5070
_cell_measurement_theta_min      3.7680
_cell_volume                     3206.3(4)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0443
_diffrn_reflns_av_unetI/netI     0.0796
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            20591
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         3.253
_exptl_absorpt_coefficient_mu    3.035
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.66304
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.38a (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.570
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Strip
_exptl_crystal_F_000             1536
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.180
_refine_diff_density_max         0.725
_refine_diff_density_min         -0.706
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.979
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     739
_refine_ls_number_reflns         11234
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.979
_refine_ls_R_factor_all          0.0908
_refine_ls_R_factor_gt           0.0533
_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)+(0.0474P)²+2.2683P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1106
_refine_ls_wR_factor_ref         0.1255
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7683
_reflns_number_total             11234
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt03060c2.cif
_cod_data_source_block           compound-2
_cod_depositor_comments
'Adding full bibliography for 7701257--7701259.cif.'
_cod_database_code               7701258
_shelx_shelxl_version_number     2018/3
_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   0.568
_shelx_estimated_absorpt_t_max   0.611
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
Cu1 Cu 0.34297(7) -0.24181(5) -0.14830(4) 0.0501(2) Uani 1 1 d . .
Cu2 Cu 0.66796(7) -0.67132(5) 0.37402(4) 0.0555(2) Uani 1 1 d . .
Cu3 Cu 0.83596(7) -0.69644(6) 0.26690(4) 0.0594(2) Uani 1 1 d . .
Br1 Br 0.14078(5) -0.35381(5) -0.17031(3) 0.05496(19) Uani 1 1 d . .
Br2 Br 0.86600(5) -0.74071(4) 0.36526(3) 0.05013(17) Uani 1 1 d . .
Br3 Br 0.54403(5) -0.72653(4) 0.25718(3) 0.04520(16) Uani 1 1 d . .
C1 C 0.7316(4) -0.0956(3) 0.3286(2) 0.0267(11) Uani 1 1 d . .
C2 C 0.6626(4) -0.0618(3) 0.3871(2) 0.0261(11) Uani 1 1 d . .
C3 C 0.6930(4) -0.0679(3) 0.4541(2) 0.0305(11) Uani 1 1 d . .
H3 H 0.645305 -0.045514 0.491981 0.037 Uiso 1 1 calc R U
C4 C 0.7923(4) -0.1063(3) 0.4680(2) 0.0294(11) Uani 1 1 d . .
C5 C 0.8525(4) -0.1453(3) 0.4072(2) 0.0278(11) Uani 1 1 d . .
H5 H 0.914820 -0.175694 0.412986 0.033 Uiso 1 1 calc R U
C6 C 0.8244(4) -0.1411(3) 0.3390(2) 0.0241(10) Uani 1 1 d . .
C7 C 0.8301(5) -0.1032(4) 0.5440(3) 0.0378(13) Uani 1 1 d . .
C8 C 0.8400(5) -0.0089(4) 0.5960(3) 0.0521(16) Uani 1 1 d . .
H8A H 0.864089 -0.007359 0.644232 0.078 Uiso 1 1 calc R U
H8B H 0.901051 0.030987 0.581267 0.078 Uiso 1 1 calc R U
H8C H 0.761173 0.009136 0.595449 0.078 Uiso 1 1 calc R U
C9 C 0.7319(7) -0.1652(5) 0.5678(4) 0.095(3) Uani 1 1 d . .
H9A H 0.755449 -0.163456 0.616150 0.143 Uiso 1 1 calc R U
H9B H 0.653642 -0.146333 0.567046 0.143 Uiso 1 1 calc R U
H9C H 0.724562 -0.224979 0.535283 0.143 Uiso 1 1 calc R U
C10 C 0.9582(7) -0.1270(6) 0.5493(4) 0.090(3) Uani 1 1 d . .
H10A H 0.979185 -0.124290 0.598210 0.135 Uiso 1 1 calc R U
H10B H 0.957273 -0.186186 0.517118 0.135 Uiso 1 1 calc R U
H10C H 1.018685 -0.085469 0.535847 0.135 Uiso 1 1 calc R U
C11 C 0.3857(4) -0.1469(3) 0.2976(2) 0.0274(11) Uani 1 1 d . .
C12 C 0.4410(4) -0.0594(3) 0.3074(2) 0.0267(11) Uani 1 1 d . .
C13 C 0.4002(4) -0.0129(3) 0.2653(3) 0.0278(11) Uani 1 1 d . .
H13 H 0.439500 0.045487 0.272361 0.033 Uiso 1 1 calc R U
C14 C 0.3013(4) -0.0519(3) 0.2123(2) 0.0256(11) Uani 1 1 d . .
C15 C 0.2482(4) -0.1394(3) 0.2023(3) 0.0318(12) Uani 1 1 d . .
H15 H 0.183532 -0.167411 0.166437 0.038 Uiso 1 1 calc R U
C16 C 0.2883(4) -0.1871(3) 0.2443(3) 0.0297(11) Uani 1 1 d . .
C17 C 0.2523(4) 0.0027(3) 0.1689(3) 0.0308(11) Uani 1 1 d . .
C18 C 0.1558(5) -0.0564(4) 0.1082(3) 0.0529(16) Uani 1 1 d . .
H18A H 0.191994 -0.102609 0.076183 0.079 Uiso 1 1 calc R U
H18B H 0.086886 -0.082783 0.128704 0.079 Uiso 1 1 calc R U
H18C H 0.127576 -0.021201 0.081585 0.079 Uiso 1 1 calc R U
C19 C 0.1945(6) 0.0753(5) 0.2191(3) 0.070(2) Uani 1 1 d . .
H19A H 0.255050 0.112785 0.257509 0.105 Uiso 1 1 calc R U
H19B H 0.166245 0.110360 0.192358 0.105 Uiso 1 1 calc R U
H19C H 0.125555 0.048778 0.239477 0.105 Uiso 1 1 calc R U
C20 C 0.3570(5) 0.0451(4) 0.1327(3) 0.0575(17) Uani 1 1 d . .
H20A H 0.393832 -0.000755 0.100751 0.086 Uiso 1 1 calc R U
H20B H 0.323871 0.077831 0.105387 0.086 Uiso 1 1 calc R U
H20C H 0.418764 0.084877 0.169334 0.086 Uiso 1 1 calc R U
C21 C 0.3925(4) -0.3842(3) 0.1978(2) 0.0282(11) Uani 1 1 d . .
C22 C 0.2882(4) -0.3710(3) 0.2360(3) 0.0298(11) Uani 1 1 d . .
C23 C 0.2410(4) -0.4286(3) 0.2729(3) 0.0296(11) Uani 1 1 d . .
H23 H 0.171198 -0.418787 0.298200 0.036 Uiso 1 1 calc R U
C24 C 0.2941(4) -0.5000(3) 0.2734(2) 0.0259(11) Uani 1 1 d . .
C25 C 0.4016(4) -0.5105(3) 0.2372(2) 0.0275(11) Uani 1 1 d . .
H25 H 0.441364 -0.556742 0.238438 0.033 Uiso 1 1 calc R U
C26 C 0.4509(4) -0.4538(3) 0.1995(3) 0.0274(11) Uani 1 1 d . .
C27 C 0.2375(4) -0.5670(3) 0.3102(2) 0.0277(11) Uani 1 1 d . .
C28 C 0.1225(4) -0.5407(4) 0.3483(3) 0.0426(14) Uani 1 1 d . .
H28A H 0.144905 -0.482763 0.384106 0.064 Uiso 1 1 calc R U
H28B H 0.060595 -0.539462 0.313211 0.064 Uiso 1 1 calc R U
H28C H 0.090188 -0.583487 0.371527 0.064 Uiso 1 1 calc R U
C29 C 0.1989(5) -0.6591(4) 0.2539(3) 0.0420(13) Uani 1 1 d . .
H29A H 0.269640 -0.676803 0.229377 0.063 Uiso 1 1 calc R U
H29B H 0.166115 -0.701232 0.277595 0.063 Uiso 1 1 calc R U
H29C H 0.136523 -0.657207 0.219278 0.063 Uiso 1 1 calc R U
C30 C 0.3316(5) -0.5729(4) 0.3674(3) 0.0418(14) Uani 1 1 d . .
H30A H 0.356826 -0.515356 0.403328 0.063 Uiso 1 1 calc R U
H30B H 0.293969 -0.614759 0.390265 0.063 Uiso 1 1 calc R U
H30C H 0.402651 -0.592451 0.344364 0.063 Uiso 1 1 calc R U
C31 C 0.7438(4) -0.3306(3) 0.2038(2) 0.0272(11) Uani 1 1 d . .
C32 C 0.6736(4) -0.3905(3) 0.1419(3) 0.0291(11) Uani 1 1 d . .
C33 C 0.6960(4) -0.3835(3) 0.0739(3) 0.0370(13) Uani 1 1 d . .
H33 H 0.648945 -0.424311 0.033242 0.044 Uiso 1 1 calc R U
C34 C 0.7878(4) -0.3167(4) 0.0651(3) 0.0345(12) Uani 1 1 d . .
C35 C 0.8489(4) -0.2538(3) 0.1274(3) 0.0317(12) Uani 1 1 d . .
H35 H 0.906794 -0.206545 0.123125 0.038 Uiso 1 1 calc R U
C36 C 0.8268(4) -0.2585(3) 0.1966(2) 0.0255(11) Uani 1 1 d . .
C37 C 0.8203(5) -0.3175(4) -0.0114(3) 0.0508(16) Uani 1 1 d . .
C38 C 0.8461(9) -0.4054(6) -0.0542(4) 0.118(4) Uani 1 1 d . .
H38A H 0.779634 -0.451390 -0.051764 0.177 Uiso 1 1 calc R U
H38B H 0.853181 -0.407873 -0.103800 0.177 Uiso 1 1 calc R U
H38C H 0.922338 -0.414101 -0.034683 0.177 Uiso 1 1 calc R U
C39 C 0.9179(8) -0.2432(6) -0.0123(4) 0.131(5) Uani 1 1 d . .
H39A H 0.896511 -0.187964 0.016194 0.197 Uiso 1 1 calc R U
H39B H 0.995089 -0.249711 0.007784 0.197 Uiso 1 1 calc R U
H39C H 0.925933 -0.243483 -0.061333 0.197 Uiso 1 1 calc R U
C40 C 0.7029(8) -0.3085(9) -0.0532(4) 0.136(5) Uani 1 1 d . .
H40A H 0.635869 -0.355826 -0.054269 0.205 Uiso 1 1 calc R U
H40B H 0.679970 -0.252131 -0.029199 0.205 Uiso 1 1 calc R U
H40C H 0.720688 -0.311918 -0.102015 0.205 Uiso 1 1 calc R U
C41 C 0.3829(5) -0.3531(4) 0.0875(3) 0.0443(14) Uani 1 1 d . .
H41A H 0.293360 -0.364961 0.087568 0.053 Uiso 1 1 calc R U
H41B H 0.408508 -0.407044 0.057996 0.053 Uiso 1 1 calc R U
C42 C 0.4223(4) -0.2797(3) 0.0566(3) 0.0334(12) Uani 1 1 d . .
C43 C 0.4985(5) -0.2007(4) 0.0952(3) 0.0440(14) Uani 1 1 d . .
H43 H 0.529034 -0.191023 0.142587 0.053 Uiso 1 1 calc R U
C44 C 0.5290(5) -0.1362(4) 0.0627(3) 0.0499(15) Uani 1 1 d . .
H44 H 0.579859 -0.082177 0.088081 0.060 Uiso 1 1 calc R U
C45 C 0.4838(5) -0.1520(4) -0.0074(3) 0.0468(15) Uani 1 1 d . .
H45 H 0.505676 -0.107770 -0.028645 0.056 Uiso 1 1 calc R U
C46 C 0.3805(5) -0.2904(4) -0.0138(3) 0.0376(13) Uani 1 1 d . .
H46 H 0.328995 -0.343769 -0.040100 0.045 Uiso 1 1 calc R U
C47 C 0.8359(5) -0.3965(4) 0.2746(3) 0.0425(14) Uani 1 1 d . .
H47A H 0.916506 -0.359301 0.277383 0.051 Uiso 1 1 calc R U
H47B H 0.828596 -0.448279 0.231480 0.051 Uiso 1 1 calc R U
C48 C 0.8259(5) -0.4257(4) 0.3402(3) 0.0366(12) Uani 1 1 d . .
C49 C 0.9004(5) -0.3804(4) 0.4033(3) 0.0522(15) Uani 1 1 d . .
H49 H 0.954388 -0.327647 0.407090 0.063 Uiso 1 1 calc R U
C50 C 0.8949(6) -0.4131(5) 0.4608(3) 0.0638(18) Uani 1 1 d . .
H50 H 0.942957 -0.382416 0.504173 0.077 Uiso 1 1 calc R U
C51 C 0.8167(6) -0.4921(4) 0.4522(3) 0.0518(15) Uani 1 1 d . .
H51 H 0.814713 -0.515328 0.490472 0.062 Uiso 1 1 calc R U
C52 C 0.7483(5) -0.5030(4) 0.3371(3) 0.0385(13) Uani 1 1 d . .
H52 H 0.696673 -0.533153 0.294958 0.046 Uiso 1 1 calc R U
C53 C 0.3660(5) -0.1911(4) 0.4025(3) 0.0488(15) Uani 1 1 d . .
H53A H 0.277225 -0.209861 0.390524 0.059 Uiso 1 1 calc R U
H53B H 0.381858 -0.130689 0.436103 0.059 Uiso 1 1 calc R U
C54 C 0.4141(4) -0.2522(3) 0.4364(3) 0.0328(12) Uani 1 1 d . .
C55 C 0.5015(5) -0.3013(4) 0.4076(3) 0.0396(13) Uani 1 1 d . .
H55 H 0.534646 -0.297977 0.364810 0.047 Uiso 1 1 calc R U
C56 C 0.5397(5) -0.3552(4) 0.4423(3) 0.0425(14) Uani 1 1 d . .
H56 H 0.599680 -0.388578 0.423455 0.051 Uiso 1 1 calc R U
C57 C 0.4891(5) -0.3602(4) 0.5053(3) 0.0412(13) Uani 1 1 d . .
H57 H 0.514240 -0.398544 0.527668 0.049 Uiso 1 1 calc R U
C58 C 0.3693(5) -0.2594(4) 0.5009(3) 0.0393(13) Uani 1 1 d . .
H58 H 0.310799 -0.225368 0.521235 0.047 Uiso 1 1 calc R U
C59 C 0.7908(5) 0.0065(4) 0.2700(3) 0.0425(14) Uani 1 1 d . .
H59A H 0.876948 0.004807 0.280562 0.051 Uiso 1 1 calc R U
H59B H 0.766746 0.053111 0.309585 0.051 Uiso 1 1 calc R U
C60 C 0.7773(4) 0.0271(4) 0.2014(3) 0.0363(13) Uani 1 1 d . .
C61 C 0.8371(5) -0.0122(4) 0.1423(3) 0.0542(16) Uani 1 1 d . .
H61 H 0.881118 -0.056529 0.143158 0.065 Uiso 1 1 calc R U
C62 C 0.8317(6) 0.0141(5) 0.0819(4) 0.067(2) Uani 1 1 d . .
H62 H 0.870235 -0.013248 0.041002 0.080 Uiso 1 1 calc R U
C63 C 0.7696(6) 0.0805(4) 0.0823(3) 0.0555(17) Uani 1 1 d . .
H63 H 0.768728 0.099396 0.041736 0.067 Uiso 1 1 calc R U
C64 C 0.7146(4) 0.0912(3) 0.1963(3) 0.0343(12) Uani 1 1 d . .
H64 H 0.672085 0.117321 0.235668 0.041 Uiso 1 1 calc R U
N1 N 0.4102(4) -0.2279(3) -0.0466(2) 0.0404(11) Uani 1 1 d . .
N2 N 0.7426(4) -0.5381(3) 0.3916(2) 0.0429(11) Uani 1 1 d . .
N3 N 0.7098(4) 0.1194(3) 0.1388(2) 0.0452(12) Uani 1 1 d . .
N4 N 0.4050(4) -0.3118(3) 0.5354(2) 0.0392(11) Uani 1 1 d . .
O1 O 0.4381(3) -0.3277(2) 0.15960(17) 0.0332(8) Uani 1 1 d . .
O2 O 0.7388(3) -0.3467(2) 0.26937(16) 0.0301(8) Uani 1 1 d . .
O3 O 0.7142(3) -0.0786(2) 0.26442(16) 0.0289(7) Uani 1 1 d . .
O4 O 0.4274(3) -0.1941(2) 0.33846(17) 0.0337(8) Uani 1 1 d . .
S1 S 0.92402(10) -0.17924(9) 0.27022(6) 0.0302(3) Uani 1 1 d . .
S2 S 0.55073(11) 0.00391(9) 0.38197(7) 0.0379(3) Uani 1 1 d . .
S3 S 0.19444(11) -0.29295(10) 0.23118(9) 0.0453(4) Uani 1 1 d . .
S4 S 0.57171(12) -0.48758(9) 0.14472(8) 0.0407(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'
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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
N1 Cu1 N3 104.32(18) . 2_655
N1 Cu1 Br3 126.36(12) . 2_645
N3 Cu1 Br3 104.46(12) 2_655 2_645
N1 Cu1 Br1 104.88(13) . .
N3 Cu1 Br1 105.18(13) 2_655 .
Br3 Cu1 Br1 109.82(3) 2_645 .
N1 Cu1 Cu3 154.56(13) . 2_645
N3 Cu1 Cu3 82.45(13) 2_655 2_645
Br3 Cu1 Cu3 73.53(3) 2_645 2_645
Br1 Cu1 Cu3 49.95(2) . 2_645
N4 Cu2 N2 110.67(18) 2_646 .
N4 Cu2 Br3 120.89(12) 2_646 .
N2 Cu2 Br3 107.17(12) . .
N4 Cu2 Br2 104.18(13) 2_646 .
N2 Cu2 Br2 101.62(13) . .
Br3 Cu2 Br2 110.66(4) . .
N4 Cu2 Cu3 153.67(13) 2_646 .
N2 Cu2 Cu3 82.24(12) . .
Br3 Cu2 Cu3 73.55(3) . .
Br2 Cu2 Cu3 49.76(2) . .
Br1 Cu3 Br2 165.47(4) 2_645 .
Br1 Cu3 Cu2 131.56(4) 2_645 .
Br2 Cu3 Cu2 60.47(3) . .
Br1 Cu3 Cu1 59.05(3) 2_645 2_645
Br2 Cu3 Cu1 133.01(4) . 2_645
Cu2 Cu3 Cu1 96.06(3) . 2_645
Cu3 Br1 Cu1 70.99(3) 2_645 .
Cu3 Br2 Cu2 69.77(3) . .
Cu1 Br3 Cu2 116.86(3) 2_645 .
O3 C1 C6 121.0(4) . .
O3 C1 C2 120.5(4) . .
C6 C1 C2 118.3(4) . .
C3 C2 C1 120.0(4) . .
C3 C2 S2 117.3(3) . .
C1 C2 S2 122.0(3) . .
C2 C3 C4 123.2(4) . .
C2 C3 H3 118.4 . .
C4 C3 H3 118.4 . .
C5 C4 C3 115.0(4) . .
C5 C4 C7 123.8(4) . .
C3 C4 C7 121.2(4) . .
C6 C5 C4 123.5(4) . .
C6 C5 H5 118.3 . .
C4 C5 H5 118.3 . .
C5 C6 C1 119.7(4) . .
C5 C6 S1 118.1(3) . .
C1 C6 S1 121.5(3) . .
C4 C7 C8 109.9(4) . .
C4 C7 C9 109.1(4) . .
C8 C7 C9 108.7(5) . .
C4 C7 C10 111.8(4) . .
C8 C7 C10 106.0(5) . .
C9 C7 C10 111.3(6) . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C7 C10 H10A 109.5 . .
C7 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C7 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
O4 C11 C12 121.2(4) . .
O4 C11 C16 120.3(4) . .
C12 C11 C16 118.5(4) . .
C13 C12 C11 120.9(4) . .
C13 C12 S2 116.2(4) . .
C11 C12 S2 122.3(4) . .
C12 C13 C14 121.3(4) . .
C12 C13 H13 119.3 . .
C14 C13 H13 119.3 . .
C15 C14 C13 117.3(4) . .
C15 C14 C17 122.1(4) . .
C13 C14 C17 120.6(4) . .
C14 C15 C16 122.0(4) . .
C14 C15 H15 119.0 . .
C16 C15 H15 119.0 . .
C11 C16 C15 119.9(4) . .
C11 C16 S3 124.9(4) . .
C15 C16 S3 114.7(4) . .
C19 C17 C18 109.2(5) . .
C19 C17 C20 109.3(5) . .
C18 C17 C20 106.7(4) . .
C19 C17 C14 109.5(4) . .
C18 C17 C14 111.0(4) . .
C20 C17 C14 111.1(4) . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C17 C20 H20A 109.5 . .
C17 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C17 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
O1 C21 C22 120.1(4) . .
O1 C21 C26 120.8(4) . .
C22 C21 C26 119.2(4) . .
C23 C22 C21 120.1(4) . .
C23 C22 S3 115.1(3) . .
C21 C22 S3 124.2(4) . .
C24 C23 C22 122.0(4) . .
C24 C23 H23 119.0 . .
C22 C23 H23 119.0 . .
C23 C24 C25 117.3(4) . .
C23 C24 C27 122.0(4) . .
C25 C24 C27 120.6(4) . .
C24 C25 C26 121.9(4) . .
C24 C25 H25 119.1 . .
C26 C25 H25 119.1 . .
C21 C26 C25 119.4(4) . .
C21 C26 S4 124.2(4) . .
C25 C26 S4 115.6(4) . .
C29 C27 C28 108.1(4) . .
C29 C27 C24 109.9(4) . .
C28 C27 C24 111.6(4) . .
C29 C27 C30 108.5(4) . .
C28 C27 C30 107.9(4) . .
C24 C27 C30 110.8(4) . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C27 C29 H29A 109.5 . .
C27 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C27 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C27 C30 H30A 109.5 . .
C27 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C27 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
O2 C31 C36 120.6(4) . .
O2 C31 C32 120.6(4) . .
C36 C31 C32 118.5(4) . .
C33 C32 C31 120.3(4) . .
C33 C32 S4 117.1(4) . .
C31 C32 S4 121.8(4) . .
C32 C33 C34 121.6(5) . .
C32 C33 H33 119.2 . .
C34 C33 H33 119.2 . .
C35 C34 C33 117.1(4) . .
C35 C34 C37 122.8(4) . .
C33 C34 C37 120.1(5) . .
C34 C35 C36 122.3(4) . .
C34 C35 H35 118.8 . .
C36 C35 H35 118.8 . .
C31 C36 C35 119.6(4) . .
C31 C36 S1 123.1(4) . .
C35 C36 S1 116.7(3) . .
C39 C37 C38 113.0(6) . .
C39 C37 C34 114.0(5) . .
C38 C37 C34 110.6(5) . .
C39 C37 C40 106.1(7) . .
C38 C37 C40 103.9(7) . .
C34 C37 C40 108.6(5) . .
C37 C38 H38A 109.5 . .
C37 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C37 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C37 C39 H39A 109.5 . .
C37 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C37 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
C37 C40 H40A 109.5 . .
C37 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C37 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
O1 C41 C42 109.2(4) . .
O1 C41 H41A 109.8 . .
C42 C41 H41A 109.8 . .
O1 C41 H41B 109.8 . .
C42 C41 H41B 109.8 . .
H41A C41 H41B 108.3 . .
C43 C42 C46 117.9(5) . .
C43 C42 C41 122.9(4) . .
C46 C42 C41 119.3(4) . .
C42 C43 C44 119.0(5) . .
C42 C43 H43 120.5 . .
C44 C43 H43 120.5 . .
C45 C44 C43 119.6(5) . .
C45 C44 H44 120.2 . .
C43 C44 H44 120.2 . .
N1 C45 C44 123.1(5) . .
N1 C45 H45 118.5 . .
C44 C45 H45 118.5 . .
N1 C46 C42 123.8(5) . .
N1 C46 H46 118.1 . .
C42 C46 H46 118.1 . .
O2 C47 C48 110.4(4) . .
O2 C47 H47A 109.6 . .
C48 C47 H47A 109.6 . .
O2 C47 H47B 109.6 . .
C48 C47 H47B 109.6 . .
H47A C47 H47B 108.1 . .
C52 C48 C49 117.9(5) . .
C52 C48 C47 120.1(5) . .
C49 C48 C47 121.8(5) . .
C50 C49 C48 120.1(6) . .
C50 C49 H49 120.0 . .
C48 C49 H49 120.0 . .
C51 C50 C49 118.0(6) . .
C51 C50 H50 121.0 . .
C49 C50 H50 121.0 . .
N2 C51 C50 123.5(5) . .
N2 C51 H51 118.2 . .
C50 C51 H51 118.2 . .
N2 C52 C48 123.7(5) . .
N2 C52 H52 118.2 . .
C48 C52 H52 118.2 . .
O4 C53 C54 108.3(4) . .
O4 C53 H53A 110.0 . .
C54 C53 H53A 110.0 . .
O4 C53 H53B 110.0 . .
C54 C53 H53B 110.0 . .
H53A C53 H53B 108.4 . .
C55 C54 C58 117.6(5) . .
C55 C54 C53 123.3(4) . .
C58 C54 C53 119.1(5) . .
C56 C55 C54 119.3(5) . .
C56 C55 H55 120.4 . .
C54 C55 H55 120.4 . .
C55 C56 C57 119.8(5) . .
C55 C56 H56 120.1 . .
C57 C56 H56 120.1 . .
N4 C57 C56 122.2(5) . .
N4 C57 H57 118.9 . .
C56 C57 H57 118.9 . .
N4 C58 C54 124.1(5) . .
N4 C58 H58 118.0 . .
C54 C58 H58 118.0 . .
O3 C59 C60 110.6(4) . .
O3 C59 H59A 109.5 . .
C60 C59 H59A 109.5 . .
O3 C59 H59B 109.5 . .
C60 C59 H59B 109.5 . .
H59A C59 H59B 108.1 . .
C64 C60 C61 117.0(5) . .
C64 C60 C59 121.7(5) . .
C61 C60 C59 121.0(5) . .
C60 C61 C62 119.6(5) . .
C60 C61 H61 120.2 . .
C62 C61 H61 120.2 . .
C63 C62 C61 119.4(6) . .
C63 C62 H62 120.3 . .
C61 C62 H62 120.3 . .
N3 C63 C62 122.2(5) . .
N3 C63 H63 118.9 . .
C62 C63 H63 118.9 . .
N3 C64 C60 124.7(5) . .
N3 C64 H64 117.6 . .
C60 C64 H64 117.6 . .
C45 N1 C46 116.6(4) . .
C45 N1 Cu1 119.7(4) . .
C46 N1 Cu1 123.6(4) . .
C52 N2 C51 116.8(5) . .
C52 N2 Cu2 121.7(4) . .
C51 N2 Cu2 119.0(4) . .
C63 N3 C64 117.1(5) . .
C63 N3 Cu1 120.0(4) . 2_655
C64 N3 Cu1 120.6(4) . 2_655
C58 N4 C57 117.0(4) . .
C58 N4 Cu2 124.3(4) . 2_646
C57 N4 Cu2 118.6(3) . 2_646
C21 O1 C41 114.2(3) . .
C31 O2 C47 107.7(3) . .
C1 O3 C59 108.6(3) . .
C11 O4 C53 115.3(3) . .
C36 S1 C6 105.7(2) . .
C2 S2 C12 107.6(2) . .
C16 S3 C22 110.2(2) . .
C26 S4 C32 108.3(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N1 2.027(4) .
Cu1 N3 2.100(5) 2_655
Cu1 Br3 2.4409(9) 2_645
Cu1 Br1 2.5435(10) .
Cu1 Cu3 2.8040(10) 2_645
Cu2 N4 2.028(4) 2_646
Cu2 N2 2.076(5) .
Cu2 Br3 2.4475(9) .
Cu2 Br2 2.5943(10) .
Cu2 Cu3 2.7977(11) .
Cu3 Br1 2.2703(9) 2_645
Cu3 Br2 2.2761(9) .
C1 O3 1.376(5) .
C1 C6 1.397(6) .
C1 C2 1.400(6) .
C2 C3 1.375(6) .
C2 S2 1.772(5) .
C3 C4 1.402(6) .
C3 H3 0.9300 .
C4 C5 1.393(6) .
C4 C7 1.510(6) .
C5 C6 1.381(6) .
C5 H5 0.9300 .
C6 S1 1.775(4) .
C7 C8 1.521(8) .
C7 C9 1.524(8) .
C7 C10 1.529(8) .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 O4 1.378(5) .
C11 C12 1.386(7) .
C11 C16 1.390(6) .
C12 C13 1.382(6) .
C12 S2 1.781(5) .
C13 C14 1.396(6) .
C13 H13 0.9300 .
C14 C15 1.379(7) .
C14 C17 1.541(6) .
C15 C16 1.393(6) .
C15 H15 0.9300 .
C16 S3 1.773(5) .
C17 C19 1.514(8) .
C17 C18 1.521(7) .
C17 C20 1.535(7) .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 O1 1.383(5) .
C21 C22 1.392(6) .
C21 C26 1.389(7) .
C22 C23 1.384(6) .
C22 S3 1.775(5) .
C23 C24 1.376(7) .
C23 H23 0.9300 .
C24 C25 1.397(6) .
C24 C27 1.528(6) .
C25 C26 1.390(6) .
C25 H25 0.9300 .
C26 S4 1.773(4) .
C27 C29 1.525(7) .
C27 C28 1.534(6) .
C27 C30 1.536(6) .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C31 O2 1.379(5) .
C31 C36 1.394(6) .
C31 C32 1.397(6) .
C32 C33 1.386(7) .
C32 S4 1.776(5) .
C33 C34 1.399(6) .
C33 H33 0.9300 .
C34 C35 1.381(7) .
C34 C37 1.536(7) .
C35 C36 1.397(6) .
C35 H35 0.9300 .
C36 S1 1.772(5) .
C37 C39 1.466(8) .
C37 C38 1.478(10) .
C37 C40 1.560(10) .
C38 H38A 0.9600 .
C38 H38B 0.9600 .
C38 H38C 0.9600 .
C39 H39A 0.9600 .
C39 H39B 0.9600 .
C39 H39C 0.9600 .
C40 H40A 0.9600 .
C40 H40B 0.9600 .
C40 H40C 0.9600 .
C41 O1 1.421(6) .
C41 C42 1.492(7) .
C41 H41A 0.9700 .
C41 H41B 0.9700 .
C42 C43 1.375(7) .
C42 C46 1.383(7) .
C43 C44 1.374(7) .
C43 H43 0.9300 .
C44 C45 1.371(7) .
C44 H44 0.9300 .
C45 N1 1.332(7) .
C45 H45 0.9300 .
C46 N1 1.351(6) .
C46 H46 0.9300 .
C47 O2 1.458(6) .
C47 C48 1.492(7) .
C47 H47A 0.9700 .
C47 H47B 0.9700 .
C48 C52 1.366(7) .
C48 C49 1.378(8) .
C49 C50 1.375(8) .
C49 H49 0.9300 .
C50 C51 1.366(8) .
C50 H50 0.9300 .
C51 N2 1.345(7) .
C51 H51 0.9300 .
C52 N2 1.345(6) .
C52 H52 0.9300 .
C53 O4 1.422(6) .
C53 C54 1.499(7) .
C53 H53A 0.9700 .
C53 H53B 0.9700 .
C54 C55 1.367(7) .
C54 C58 1.389(7) .
C55 C56 1.363(7) .
C55 H55 0.9300 .
C56 C57 1.378(7) .
C56 H56 0.9300 .
C57 N4 1.337(7) .
C57 H57 0.9300 .
C58 N4 1.330(6) .
C58 H58 0.9300 .
C59 O3 1.450(6) .
C59 C60 1.482(7) .
C59 H59A 0.9700 .
C59 H59B 0.9700 .
C60 C64 1.359(7) .
C60 C61 1.371(8) .
C61 C62 1.372(8) .
C61 H61 0.9300 .
C62 C63 1.360(8) .
C62 H62 0.9300 .
C63 N3 1.334(7) .
C63 H63 0.9300 .
C64 N3 1.335(6) .
C64 H64 0.9300 .
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_4
O3 C1 C2 C3 -170.4(4) .
C6 C1 C2 C3 4.8(7) .
O3 C1 C2 S2 0.0(6) .
C6 C1 C2 S2 175.2(3) .
C1 C2 C3 C4 0.6(8) .
S2 C2 C3 C4 -170.2(4) .
C2 C3 C4 C5 -5.3(7) .
C2 C3 C4 C7 173.7(5) .
C3 C4 C5 C6 4.9(7) .
C7 C4 C5 C6 -174.1(5) .
C4 C5 C6 C1 0.3(7) .
C4 C5 C6 S1 170.7(4) .
O3 C1 C6 C5 170.0(4) .
C2 C1 C6 C5 -5.2(7) .
O3 C1 C6 S1 -0.1(6) .
C2 C1 C6 S1 -175.3(3) .
C5 C4 C7 C8 131.0(5) .
C3 C4 C7 C8 -47.9(6) .
C5 C4 C7 C9 -109.9(6) .
C3 C4 C7 C9 71.1(7) .
C5 C4 C7 C10 13.6(8) .
C3 C4 C7 C10 -165.3(6) .
O4 C11 C12 C13 178.8(4) .
C16 C11 C12 C13 0.1(7) .
O4 C11 C12 S2 -10.6(6) .
C16 C11 C12 S2 170.7(3) .
C11 C12 C13 C14 0.9(7) .
S2 C12 C13 C14 -170.3(3) .
C12 C13 C14 C15 -1.7(7) .
C12 C13 C14 C17 176.5(4) .
C13 C14 C15 C16 1.7(7) .
C17 C14 C15 C16 -176.5(4) .
O4 C11 C16 C15 -178.9(4) .
C12 C11 C16 C15 -0.1(7) .
O4 C11 C16 S3 9.3(6) .
C12 C11 C16 S3 -172.0(4) .
C14 C15 C16 C11 -0.8(7) .
C14 C15 C16 S3 171.8(4) .
C15 C14 C17 C19 111.7(6) .
C13 C14 C17 C19 -66.5(6) .
C15 C14 C17 C18 -9.0(6) .
C13 C14 C17 C18 172.9(4) .
C15 C14 C17 C20 -127.5(5) .
C13 C14 C17 C20 54.3(6) .
O1 C21 C22 C23 178.6(4) .
C26 C21 C22 C23 -2.3(7) .
O1 C21 C22 S3 7.9(6) .
C26 C21 C22 S3 -173.0(4) .
C21 C22 C23 C24 -0.1(7) .
S3 C22 C23 C24 171.4(4) .
C22 C23 C24 C25 2.5(7) .
C22 C23 C24 C27 -176.2(4) .
C23 C24 C25 C26 -2.7(7) .
C27 C24 C25 C26 176.0(4) .
O1 C21 C26 C25 -178.8(4) .
C22 C21 C26 C25 2.1(7) .
O1 C21 C26 S4 -9.3(6) .
C22 C21 C26 S4 171.6(4) .
C24 C25 C26 C21 0.4(7) .
C24 C25 C26 S4 -169.9(4) .
C23 C24 C27 C29 116.8(5) .
C25 C24 C27 C29 -61.8(5) .
C23 C24 C27 C28 -3.1(6) .
C25 C24 C27 C28 178.3(4) .
C23 C24 C27 C30 -123.3(5) .
C25 C24 C27 C30 58.0(6) .
O2 C31 C32 C33 -167.6(4) .
C36 C31 C32 C33 6.9(7) .
O2 C31 C32 S4 2.0(6) .
C36 C31 C32 S4 176.5(3) .
C31 C32 C33 C34 -0.6(8) .
S4 C32 C33 C34 -170.7(4) .
C32 C33 C34 C35 -4.7(8) .
C32 C33 C34 C37 172.9(5) .
C33 C34 C35 C36 3.9(8) .
C37 C34 C35 C36 -173.7(5) .
O2 C31 C36 C35 166.8(4) .
C32 C31 C36 C35 -7.7(7) .
O2 C31 C36 S1 -3.9(6) .
C32 C31 C36 S1 -178.5(4) .
C34 C35 C36 C31 2.4(7) .
C34 C35 C36 S1 173.7(4) .
C35 C34 C37 C39 -2.6(10) .
C33 C34 C37 C39 179.8(7) .
C35 C34 C37 C38 126.0(7) .
C33 C34 C37 C38 -51.6(8) .
C35 C34 C37 C40 -120.7(7) .
C33 C34 C37 C40 61.8(8) .
O1 C41 C42 C43 -1.1(8) .
O1 C41 C42 C46 179.3(4) .
C46 C42 C43 C44 0.4(8) .
C41 C42 C43 C44 -179.2(5) .
C42 C43 C44 C45 -0.5(9) .
C43 C44 C45 N1 0.3(9) .
C43 C42 C46 N1 0.0(8) .
C41 C42 C46 N1 179.6(5) .
O2 C47 C48 C52 85.4(6) .
O2 C47 C48 C49 -99.9(6) .
C52 C48 C49 C50 -0.3(8) .
C47 C48 C49 C50 -175.1(5) .
C48 C49 C50 C51 1.8(9) .
C49 C50 C51 N2 -1.9(10) .
C49 C48 C52 N2 -1.3(8) .
C47 C48 C52 N2 173.6(5) .
O4 C53 C54 C55 -0.5(8) .
O4 C53 C54 C58 178.8(5) .
C58 C54 C55 C56 0.7(8) .
C53 C54 C55 C56 -180.0(5) .
C54 C55 C56 C57 0.6(8) .
C55 C56 C57 N4 -1.8(9) .
C55 C54 C58 N4 -1.0(8) .
C53 C54 C58 N4 179.6(5) .
O3 C59 C60 C64 107.8(6) .
O3 C59 C60 C61 -78.2(6) .
C64 C60 C61 C62 0.1(9) .
C59 C60 C61 C62 -174.2(6) .
C60 C61 C62 C63 1.6(10) .
C61 C62 C63 N3 -2.2(11) .
C61 C60 C64 N3 -1.5(8) .
C59 C60 C64 N3 172.7(5) .
C44 C45 N1 C46 0.1(8) .
C44 C45 N1 Cu1 177.3(4) .
C42 C46 N1 C45 -0.2(8) .
C42 C46 N1 Cu1 -177.3(4) .
C48 C52 N2 C51 1.2(8) .
C48 C52 N2 Cu2 -160.4(4) .
C50 C51 N2 C52 0.5(9) .
C50 C51 N2 Cu2 162.6(5) .
C62 C63 N3 C64 0.9(9) .
C62 C63 N3 Cu1 163.7(5) 2_655
C60 C64 N3 C63 1.0(8) .
C60 C64 N3 Cu1 -161.7(4) 2_655
C54 C58 N4 C57 -0.1(8) .
C54 C58 N4 Cu2 -175.8(4) 2_646
C56 C57 N4 C58 1.5(8) .
C56 C57 N4 Cu2 177.5(4) 2_646
C22 C21 O1 C41 -87.3(5) .
C26 C21 O1 C41 93.6(5) .
C42 C41 O1 C21 170.0(4) .
C36 C31 O2 C47 -83.5(5) .
C32 C31 O2 C47 90.9(5) .
C48 C47 O2 C31 -173.1(4) .
C6 C1 O3 C59 -89.6(5) .
C2 C1 O3 C59 85.5(5) .
C60 C59 O3 C1 178.9(4) .
C12 C11 O4 C53 92.9(5) .
C16 C11 O4 C53 -88.4(6) .
C54 C53 O4 C11 174.8(4) .
C31 C36 S1 C6 -52.5(4) .
C35 C36 S1 C6 136.5(4) .
C5 C6 S1 C36 126.5(4) .
C1 C6 S1 C36 -63.2(4) .
C3 C2 S2 C12 -132.4(4) .
C1 C2 S2 C12 57.0(4) .
C13 C12 S2 C2 -139.8(3) .
C11 C12 S2 C2 49.2(4) .
C11 C16 S3 C22 -44.7(5) .
C15 C16 S3 C22 143.1(4) .
C23 C22 S3 C16 139.2(4) .
C21 C22 S3 C16 -49.7(5) .
C21 C26 S4 C32 41.2(5) .
C25 C26 S4 C32 -149.0(4) .
C33 C32 S4 C26 -124.8(4) .
C31 C32 S4 C26 65.3(5) .
