#------------------------------------------------------------------------------
#$Date: 2023-01-19 10:18:40 +0200 (Thu, 19 Jan 2023) $
#$Revision: 280430 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/64/8106489.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_8106489
loop_
_publ_author_name
'Ma, Ling'
'An, Daoli'
'Lu, Liping'
_publ_section_title
;
 Crystal structure of tetrakis(\m2-acetato-\k2
 O:O′)-bis[μ3-4-chloro-2,6-bis((methylimino)methyl)phenolato-κ2
 N,O:O,N′]-(μ4-oxido)tetracopper(II), C28H32Cl2Cu4N4O11
;
_journal_issue                   2
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              221
_journal_page_last               223
_journal_paper_doi               10.1515/ncrs-2016-0213
_journal_volume                  232
_journal_year                    2017
_chemical_formula_moiety         'C28 H32 Cl2 Cu4 N4 O11'
_chemical_formula_sum            'C28 H32 Cl2 Cu4 N4 O11'
_chemical_formula_weight         925.63
_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
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                93.796(5)
_cell_angle_beta                 93.548(5)
_cell_angle_gamma                91.917(5)
_cell_formula_units_Z            2
_cell_length_a                   9.115(3)
_cell_length_b                   12.769(4)
_cell_length_c                   14.870(5)
_cell_measurement_reflns_used    5812
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.31
_cell_measurement_theta_min      3.26
_cell_volume                     1722.4(10)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0419
_diffrn_reflns_av_unetI/netI     0.0487
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            18214
_diffrn_reflns_theta_full        24.997
_diffrn_reflns_theta_max         24.997
_diffrn_reflns_theta_min         1.599
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    2.654
_exptl_absorpt_correction_T_max  0.692
_exptl_absorpt_correction_T_min  0.484
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2000)'
_exptl_crystal_colour            'dark blue'
_exptl_crystal_density_diffrn    1.785
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             932
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.444
_refine_diff_density_min         -0.431
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     459
_refine_ls_number_reflns         6058
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0303
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0301P)²+0.9129P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0779
_refine_ls_wR_factor_ref         0.0819
_reflns_number_gt                5150
_reflns_number_total             6058
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_ncrs-2016-0213_suppl.cif
_cod_data_source_block           ML-ZL20-2
_cod_original_cell_volume        1722.2(10)
_cod_database_code               8106489
_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.
;
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 0.17865(4) 0.16340(3) 0.17904(2) 0.03167(11) Uani 1 1 d . . . . .
Cu2 Cu 0.04228(4) 0.37157(3) 0.21006(2) 0.03278(11) Uani 1 1 d . . . . .
Cu3 Cu 0.32437(4) 0.33007(3) 0.33809(2) 0.03211(11) Uani 1 1 d . . . . .
Cu4 Cu 0.05064(4) 0.20351(3) 0.36612(2) 0.03212(11) Uani 1 1 d . . . . .
N1 N 0.2110(3) 0.07711(19) 0.06735(17) 0.0346(6) Uani 1 1 d . . . . .
N2 N -0.0959(3) 0.44842(19) 0.13084(18) 0.0377(6) Uani 1 1 d . . . . .
N3 N 0.5023(3) 0.3642(2) 0.41950(19) 0.0389(6) Uani 1 1 d . . . . .
N4 N -0.0294(3) 0.14914(19) 0.47461(18) 0.0383(6) Uani 1 1 d . . . . .
O1 O 0.1496(2) 0.26897(14) 0.27338(13) 0.0298(4) Uani 1 1 d . . . . .
O2 O 0.0616(2) 0.26196(16) 0.11067(14) 0.0405(5) Uani 1 1 d . . . . .
O3 O 0.2299(2) 0.25972(16) 0.43714(14) 0.0385(5) Uani 1 1 d . . . . .
O4 O -0.0709(8) 0.0832(6) 0.1904(6) 0.0517(16) Uani 0.8 1 d . . P . .
O4A O -0.106(4) 0.061(3) 0.210(3) 0.060(8) Uani 0.2 1 d . U P . .
O5 O -0.1373(2) 0.19967(19) 0.29786(15) 0.0456(6) Uani 1 1 d . . . . .
O6 O 0.3286(2) 0.09604(18) 0.24873(15) 0.0457(6) Uani 1 1 d . . . . .
O7 O 0.1813(3) 0.04530(18) 0.35316(17) 0.0501(6) Uani 1 1 d . . . . .
O8 O 0.2534(3) 0.44908(19) 0.15814(19) 0.0595(7) Uani 1 1 d . . . . .
O9 O 0.4222(2) 0.35453(19) 0.22832(15) 0.0474(6) Uani 1 1 d . . . . .
O10 O 0.0046(2) 0.46058(18) 0.31550(15) 0.0470(6) Uani 1 1 d . . . . .
O11 O 0.2320(2) 0.48644(17) 0.38083(17) 0.0507(6) Uani 1 1 d . . . . .
C1 C 0.0072(3) 0.2536(2) 0.02655(19) 0.0318(7) Uani 1 1 d . . . . .
C2 C 0.0425(3) 0.1683(2) -0.0332(2) 0.0334(7) Uani 1 1 d . . . . .
C3 C -0.0187(3) 0.1607(2) -0.1223(2) 0.0387(7) Uani 1 1 d . . . . .
H3 H 0.0034 0.1045 -0.1616 0.046 Uiso 1 1 calc R U . . .
C4 C -0.1108(4) 0.2357(3) -0.1521(2) 0.0400(7) Uani 1 1 d . . . . .
C5 C -0.1446(3) 0.3203(2) -0.0963(2) 0.0400(8) Uani 1 1 d . . . . .
H5 H -0.2061 0.3708 -0.1182 0.048 Uiso 1 1 calc R U . . .
C6 C -0.0868(3) 0.3310(2) -0.0067(2) 0.0346(7) Uani 1 1 d . . . . .
C7 C 0.1436(3) 0.0876(2) -0.0097(2) 0.0356(7) Uani 1 1 d . . . . .
H7 H 0.1616 0.0377 -0.0558 0.043 Uiso 1 1 calc R U . . .
C8 C -0.1300(3) 0.4224(2) 0.0474(2) 0.0385(7) Uani 1 1 d . . . . .
H8 H -0.1904 0.4680 0.0175 0.046 Uiso 1 1 calc R U . . .
C9 C 0.3158(4) -0.0081(3) 0.0717(2) 0.0484(9) Uani 1 1 d . . . . .
H9A H 0.3103 -0.0490 0.0149 0.073 Uiso 1 1 calc R U . . .
H9B H 0.2915 -0.0524 0.1188 0.073 Uiso 1 1 calc R U . . .
H9C H 0.4137 0.0214 0.0842 0.073 Uiso 1 1 calc R U . . .
C10 C -0.1616(4) 0.5439(3) 0.1694(2) 0.0522(9) Uani 1 1 d . . . . .
H10A H -0.2095 0.5799 0.1218 0.078 Uiso 1 1 calc R U . . .
H10B H -0.0859 0.5892 0.2003 0.078 Uiso 1 1 calc R U . . .
H10C H -0.2324 0.5248 0.2112 0.078 Uiso 1 1 calc R U . . .
C11 C 0.2744(3) 0.2482(2) 0.5214(2) 0.0359(7) Uani 1 1 d . . . . .
C12 C 0.4105(3) 0.2950(3) 0.5572(2) 0.0398(8) Uani 1 1 d . . . . .
C13 C 0.4519(4) 0.2876(3) 0.6493(2) 0.0508(9) Uani 1 1 d . . . . .
H13 H 0.5391 0.3207 0.6738 0.061 Uiso 1 1 calc R U . . .
C14 C 0.3657(4) 0.2325(3) 0.7030(2) 0.0548(10) Uani 1 1 d . . . . .
C15 C 0.2354(4) 0.1834(3) 0.6689(2) 0.0503(9) Uani 1 1 d . . . . .
H15 H 0.1791 0.1449 0.7062 0.060 Uiso 1 1 calc R U . . .
C16 C 0.1871(4) 0.1912(2) 0.5782(2) 0.0398(8) Uani 1 1 d . . . . .
C17 C 0.5129(4) 0.3502(3) 0.5045(2) 0.0438(8) Uani 1 1 d . . . . .
H17 H 0.5973 0.3793 0.5362 0.053 Uiso 1 1 calc R U . . .
C18 C 0.0422(4) 0.1446(2) 0.5510(2) 0.0402(7) Uani 1 1 d . . . . .
H18 H -0.0035 0.1073 0.5938 0.048 Uiso 1 1 calc R U . . .
C19 C 0.6279(4) 0.4184(3) 0.3822(3) 0.0587(10) Uani 1 1 d . . . . .
H19A H 0.6937 0.4483 0.4308 0.088 Uiso 1 1 calc R U . . .
H19B H 0.5927 0.4732 0.3463 0.088 Uiso 1 1 calc R U . . .
H19C H 0.6790 0.3690 0.3453 0.088 Uiso 1 1 calc R U . . .
C20 C -0.1806(4) 0.1037(3) 0.4664(3) 0.0570(10) Uani 1 1 d . . . . .
H20A H -0.1990 0.0676 0.5193 0.085 Uiso 1 1 calc R U . . .
H20B H -0.1924 0.0551 0.4141 0.085 Uiso 1 1 calc R U . . .
H20C H -0.2489 0.1588 0.4602 0.085 Uiso 1 1 calc R U . . .
C21 C -0.1642(4) 0.1396(3) 0.2273(2) 0.0424(8) Uani 1 1 d . . . . .
C22 C -0.3143(4) 0.1494(4) 0.1807(3) 0.0822(15) Uani 1 1 d . . . . .
H22A H -0.3044 0.1585 0.1178 0.123 Uiso 1 1 calc R U . . .
H22B H -0.3608 0.2090 0.2076 0.123 Uiso 1 1 calc R U . . .
H22C H -0.3732 0.0869 0.1871 0.123 Uiso 1 1 calc R U . . .
C23 C 0.3031(4) 0.0529(2) 0.3214(2) 0.0382(7) Uani 1 1 d . . . . .
C24 C 0.4362(4) 0.0100(3) 0.3690(3) 0.0650(11) Uani 1 1 d . . . . .
H24A H 0.4692 0.0570 0.4198 0.098 Uiso 1 1 calc R U . . .
H24B H 0.5133 0.0032 0.3281 0.098 Uiso 1 1 calc R U . . .
H24C H 0.4111 -0.0576 0.3896 0.098 Uiso 1 1 calc R U . . .
C25 C 0.3697(4) 0.4027(3) 0.1618(3) 0.0514(9) Uani 1 1 d . . . . .
C26 C 0.4589(6) 0.3950(6) 0.0800(3) 0.124(3) Uani 1 1 d . U . . .
H26A H 0.3978 0.3667 0.0287 0.187 Uiso 1 1 calc R U . . .
H26B H 0.5393 0.3498 0.0907 0.187 Uiso 1 1 calc R U . . .
H26C H 0.4966 0.4636 0.0686 0.187 Uiso 1 1 calc R U . . .
C27 C 0.1009(4) 0.5077(2) 0.3712(2) 0.0412(8) Uani 1 1 d . . . . .
C28 C 0.0445(4) 0.5981(3) 0.4281(3) 0.0572(10) Uani 1 1 d . . . . .
H28A H 0.0844 0.5962 0.4892 0.086 Uiso 1 1 calc R U . . .
H28B H -0.0609 0.5923 0.4267 0.086 Uiso 1 1 calc R U . . .
H28C H 0.0741 0.6632 0.4046 0.086 Uiso 1 1 calc R U . . .
Cl1 Cl -0.18527(12) 0.22345(8) -0.26353(6) 0.0626(3) Uani 1 1 d . . . . .
Cl2 Cl 0.41963(14) 0.22397(12) 0.81739(7) 0.0904(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'
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'
Cl Cl 0.1484 0.1585 '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
O1 Cu1 O6 93.90(9) . .
O1 Cu1 O2 79.91(8) . .
O6 Cu1 O2 165.62(10) . .
O1 Cu1 N1 169.22(9) . .
O6 Cu1 N1 93.16(10) . .
O2 Cu1 N1 91.34(9) . .
O1 Cu1 O4 92.0(2) . .
O6 Cu1 O4 112.9(2) . .
O2 Cu1 O4 80.5(2) . .
N1 Cu1 O4 92.7(2) . .
O1 Cu1 Cu2 38.86(6) . .
O6 Cu1 Cu2 131.03(7) . .
O2 Cu1 Cu2 41.09(6) . .
N1 Cu1 Cu2 131.87(7) . .
O4 Cu1 Cu2 86.7(2) . .
O1 Cu2 O10 96.36(9) . .
O1 Cu2 O2 79.34(8) . .
O10 Cu2 O2 170.56(10) . .
O1 Cu2 N2 166.49(9) . .
O10 Cu2 N2 92.32(10) . .
O2 Cu2 N2 90.50(9) . .
O1 Cu2 O8 93.62(8) . .
O10 Cu2 O8 103.57(10) . .
O2 Cu2 O8 85.18(10) . .
N2 Cu2 O8 94.38(10) . .
O1 Cu2 Cu1 38.73(6) . .
O10 Cu2 Cu1 134.79(7) . .
O2 Cu2 Cu1 40.65(6) . .
N2 Cu2 Cu1 130.82(7) . .
O8 Cu2 Cu1 87.91(7) . .
O1 Cu3 O9 93.45(9) . .
O1 Cu3 N3 167.21(10) . .
O9 Cu3 N3 94.54(11) . .
O1 Cu3 O3 79.55(8) . .
O9 Cu3 O3 162.60(10) . .
N3 Cu3 O3 89.96(10) . .
O1 Cu3 O11 97.55(8) . .
O9 Cu3 O11 104.92(10) . .
N3 Cu3 O11 90.03(9) . .
O3 Cu3 O11 91.85(9) . .
O1 Cu3 Cu4 38.69(6) . .
O9 Cu3 Cu4 130.65(7) . .
N3 Cu3 Cu4 130.59(8) . .
O3 Cu3 Cu4 40.88(6) . .
O11 Cu3 Cu4 95.15(7) . .
O1 Cu4 O5 92.71(9) . .
O1 Cu4 N4 171.10(9) . .
O5 Cu4 N4 94.68(11) . .
O1 Cu4 O3 80.30(8) . .
O5 Cu4 O3 160.16(10) . .
N4 Cu4 O3 91.11(10) . .
O1 Cu4 O7 94.81(8) . .
O5 Cu4 O7 114.92(9) . .
N4 Cu4 O7 86.57(9) . .
O3 Cu4 O7 84.33(9) . .
O1 Cu4 Cu3 38.86(5) . .
O5 Cu4 Cu3 128.63(8) . .
N4 Cu4 Cu3 132.45(8) . .
O3 Cu4 Cu3 41.46(6) . .
O7 Cu4 Cu3 90.68(7) . .
C7 N1 C9 116.6(3) . .
C7 N1 Cu1 124.6(2) . .
C9 N1 Cu1 118.8(2) . .
C8 N2 C10 116.6(3) . .
C8 N2 Cu2 124.8(2) . .
C10 N2 Cu2 118.5(2) . .
C17 N3 C19 116.9(3) . .
C17 N3 Cu3 125.0(2) . .
C19 N3 Cu3 117.8(2) . .
C18 N4 C20 116.8(3) . .
C18 N4 Cu4 125.2(2) . .
C20 N4 Cu4 117.8(2) . .
Cu4 O1 Cu1 108.00(9) . .
Cu4 O1 Cu2 116.43(10) . .
Cu1 O1 Cu2 102.41(9) . .
Cu4 O1 Cu3 102.45(9) . .
Cu1 O1 Cu3 116.32(10) . .
Cu2 O1 Cu3 111.76(9) . .
C1 O2 Cu1 130.13(18) . .
C1 O2 Cu2 131.51(18) . .
Cu1 O2 Cu2 98.25(9) . .
C11 O3 Cu4 130.3(2) . .
C11 O3 Cu3 132.0(2) . .
Cu4 O3 Cu3 97.65(9) . .
C21 O4 Cu1 117.2(5) . .
C21 O5 Cu4 122.1(2) . .
C23 O6 Cu1 122.4(2) . .
C23 O7 Cu4 115.6(2) . .
C25 O8 Cu2 119.8(2) . .
C25 O9 Cu3 126.0(2) . .
C27 O10 Cu2 126.4(2) . .
C27 O11 Cu3 124.7(2) . .
O2 C1 C2 120.8(2) . .
O2 C1 C6 120.5(3) . .
C2 C1 C6 118.7(3) . .
C3 C2 C1 119.5(3) . .
C3 C2 C7 116.0(3) . .
C1 C2 C7 124.4(3) . .
C4 C3 C2 120.4(3) . .
C4 C3 H3 119.8 . .
C2 C3 H3 119.8 . .
C3 C4 C5 121.3(3) . .
C3 C4 Cl1 119.1(3) . .
C5 C4 Cl1 119.5(2) . .
C4 C5 C6 120.3(3) . .
C4 C5 H5 119.8 . .
C6 C5 H5 119.8 . .
C5 C6 C1 119.7(3) . .
C5 C6 C8 116.3(3) . .
C1 C6 C8 124.0(3) . .
N1 C7 C2 127.4(3) . .
N1 C7 H7 116.3 . .
C2 C7 H7 116.3 . .
N2 C8 C6 128.5(3) . .
N2 C8 H8 115.8 . .
C6 C8 H8 115.8 . .
N1 C9 H9A 109.5 . .
N1 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
N1 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
N2 C10 H10A 109.5 . .
N2 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
N2 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
O3 C11 C16 121.0(3) . .
O3 C11 C12 119.9(3) . .
C16 C11 C12 119.0(3) . .
C13 C12 C11 119.1(3) . .
C13 C12 C17 116.9(3) . .
C11 C12 C17 124.0(3) . .
C14 C13 C12 120.9(3) . .
C14 C13 H13 119.6 . .
C12 C13 H13 119.6 . .
C13 C14 C15 121.0(3) . .
C13 C14 Cl2 120.1(3) . .
C15 C14 Cl2 118.9(3) . .
C14 C15 C16 120.2(4) . .
C14 C15 H15 119.9 . .
C16 C15 H15 119.9 . .
C15 C16 C11 119.7(3) . .
C15 C16 C18 115.9(3) . .
C11 C16 C18 124.2(3) . .
N3 C17 C12 128.5(3) . .
N3 C17 H17 115.8 . .
C12 C17 H17 115.8 . .
N4 C18 C16 127.2(3) . .
N4 C18 H18 116.4 . .
C16 C18 H18 116.4 . .
N3 C19 H19A 109.5 . .
N3 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
N3 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
N4 C20 H20A 109.5 . .
N4 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
N4 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
O4 C21 O5 124.6(5) . .
O4 C21 C22 119.9(5) . .
O5 C21 C22 115.1(3) . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
O7 C23 O6 125.1(3) . .
O7 C23 C24 120.3(3) . .
O6 C23 C24 114.6(3) . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
O8 C25 O9 126.4(4) . .
O8 C25 C26 119.2(3) . .
O9 C25 C26 114.3(3) . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
O11 C27 O10 126.1(3) . .
O11 C27 C28 119.2(3) . .
O10 C27 C28 114.7(3) . .
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 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O1 1.9168(19) .
Cu1 O6 1.924(2) .
Cu1 O2 1.970(2) .
Cu1 N1 1.975(3) .
Cu1 O4 2.483(7) .
Cu1 Cu2 2.9921(10) .
Cu2 O1 1.9223(19) .
Cu2 O10 1.930(2) .
Cu2 O2 1.987(2) .
Cu2 N2 1.997(2) .
Cu2 O8 2.331(3) .
Cu3 O1 1.9231(19) .
Cu3 O9 1.946(2) .
Cu3 N3 1.981(2) .
Cu3 O3 2.000(2) .
Cu3 O11 2.261(2) .
Cu3 Cu4 2.9930(9) .
Cu4 O1 1.916(2) .
Cu4 O5 1.934(2) .
Cu4 N4 1.969(3) .
Cu4 O3 1.977(2) .
Cu4 O7 2.382(2) .
N1 C7 1.283(4) .
N1 C9 1.474(4) .
N2 C8 1.279(4) .
N2 C10 1.474(4) .
N3 C17 1.286(4) .
N3 C19 1.474(4) .
N4 C18 1.280(4) .
N4 C20 1.471(4) .
O2 C1 1.313(3) .
O3 C11 1.312(3) .
O4 C21 1.261(9) .
O5 C21 1.264(4) .
O6 C23 1.274(4) .
O7 C23 1.237(4) .
O8 C25 1.231(4) .
O9 C25 1.276(4) .
O10 C27 1.275(4) .
O11 C27 1.235(4) .
C1 C2 1.417(4) .
C1 C6 1.422(4) .
C2 C3 1.402(4) .
C2 C7 1.451(4) .
C3 C4 1.372(4) .
C3 H3 0.9300 .
C4 C5 1.373(5) .
C4 Cl1 1.747(3) .
C5 C6 1.398(4) .
C5 H5 0.9300 .
C6 C8 1.453(4) .
C7 H7 0.9300 .
C8 H8 0.9300 .
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 C16 1.415(5) .
C11 C12 1.417(4) .
C12 C13 1.407(4) .
C12 C17 1.450(5) .
C13 C14 1.367(5) .
C13 H13 0.9300 .
C14 C15 1.376(5) .
C14 Cl2 1.752(3) .
C15 C16 1.404(4) .
C15 H15 0.9300 .
C16 C18 1.453(5) .
C17 H17 0.9300 .
C18 H18 0.9300 .
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 C22 1.507(5) .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 C24 1.505(4) .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 C26 1.504(6) .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 C28 1.509(4) .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C28 H28C Cl1 0.96 2.84 3.709(4) 150.5 2_565
C20 H20A O7 0.96 2.46 3.391(5) 164.3 2_556
C17 H17 O11 0.93 2.49 3.374(4) 159.4 2_666
C13 H13 Cl1 0.93 2.97 3.617(4) 128.4 1_656
C7 H7 O4 0.93 2.52 3.364(9) 150.3 2
C5 H5 O8 0.93 2.46 3.308(4) 151.8 2_565
C3 H3 O4 0.93 2.51 3.354(9) 150.9 2
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
Cu1 O2 C1 C2 -6.9(4) . . . .
Cu2 O2 C1 C2 177.4(2) . . . .
Cu1 O2 C1 C6 173.9(2) . . . .
Cu2 O2 C1 C6 -1.7(4) . . . .
O2 C1 C2 C3 179.2(3) . . . .
C6 C1 C2 C3 -1.6(5) . . . .
O2 C1 C2 C7 -2.9(5) . . . .
C6 C1 C2 C7 176.2(3) . . . .
C1 C2 C3 C4 0.7(5) . . . .
C7 C2 C3 C4 -177.4(3) . . . .
C2 C3 C4 C5 0.7(5) . . . .
C2 C3 C4 Cl1 -179.9(3) . . . .
C3 C4 C5 C6 -1.0(5) . . . .
Cl1 C4 C5 C6 179.5(3) . . . .
C4 C5 C6 C1 0.0(5) . . . .
C4 C5 C6 C8 -179.4(3) . . . .
O2 C1 C6 C5 -179.5(3) . . . .
C2 C1 C6 C5 1.3(5) . . . .
O2 C1 C6 C8 -0.2(5) . . . .
C2 C1 C6 C8 -179.4(3) . . . .
C9 N1 C7 C2 -176.0(3) . . . .
Cu1 N1 C7 C2 6.0(5) . . . .
C3 C2 C7 N1 -178.8(3) . . . .
C1 C2 C7 N1 3.3(5) . . . .
C10 N2 C8 C6 -177.3(3) . . . .
Cu2 N2 C8 C6 4.3(5) . . . .
C5 C6 C8 N2 178.0(3) . . . .
C1 C6 C8 N2 -1.3(6) . . . .
Cu4 O3 C11 C16 -2.6(4) . . . .
Cu3 O3 C11 C16 -178.0(2) . . . .
Cu4 O3 C11 C12 178.6(2) . . . .
Cu3 O3 C11 C12 3.2(4) . . . .
O3 C11 C12 C13 175.9(3) . . . .
C16 C11 C12 C13 -2.9(4) . . . .
O3 C11 C12 C17 -4.7(5) . . . .
C16 C11 C12 C17 176.4(3) . . . .
C11 C12 C13 C14 2.8(5) . . . .
C17 C12 C13 C14 -176.7(3) . . . .
C12 C13 C14 C15 -0.6(5) . . . .
C12 C13 C14 Cl2 179.8(3) . . . .
C13 C14 C15 C16 -1.4(5) . . . .
Cl2 C14 C15 C16 178.2(3) . . . .
C14 C15 C16 C11 1.1(5) . . . .
C14 C15 C16 C18 -174.7(3) . . . .
O3 C11 C16 C15 -177.8(3) . . . .
C12 C11 C16 C15 1.1(4) . . . .
O3 C11 C16 C18 -2.3(5) . . . .
C12 C11 C16 C18 176.5(3) . . . .
C19 N3 C17 C12 -176.4(3) . . . .
Cu3 N3 C17 C12 9.4(5) . . . .
C13 C12 C17 N3 177.5(3) . . . .
C11 C12 C17 N3 -1.9(5) . . . .
C20 N4 C18 C16 -174.4(3) . . . .
Cu4 N4 C18 C16 9.7(5) . . . .
C15 C16 C18 N4 174.0(3) . . . .
C11 C16 C18 N4 -1.6(5) . . . .
Cu1 O4 C21 O5 -42.1(8) . . . .
Cu1 O4 C21 C22 129.8(5) . . . .
Cu4 O5 C21 O4 -5.8(6) . . . .
Cu4 O5 C21 C22 -178.0(3) . . . .
Cu4 O7 C23 O6 -49.9(4) . . . .
Cu4 O7 C23 C24 129.8(3) . . . .
Cu1 O6 C23 O7 3.1(4) . . . .
Cu1 O6 C23 C24 -176.6(2) . . . .
Cu2 O8 C25 O9 -44.0(5) . . . .
Cu2 O8 C25 C26 132.5(4) . . . .
Cu3 O9 C25 O8 6.0(6) . . . .
Cu3 O9 C25 C26 -170.7(4) . . . .
Cu3 O11 C27 O10 -21.0(5) . . . .
Cu3 O11 C27 C28 159.8(3) . . . .
Cu2 O10 C27 O11 -18.4(5) . . . .
Cu2 O10 C27 C28 160.8(2) . . . .
