#------------------------------------------------------------------------------
#$Date: 2017-02-04 15:42:02 +0200 (Sat, 04 Feb 2017) $
#$Revision: 191552 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/71/7227185.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_7227185
loop_
_publ_author_name
'Martínez-Benito, Carla'
'Pasán, Jorge'
'Martín, Tomás'
'Lago, Ana B.'
'Julve, Miguel'
'Ruiz-Pérez, Catalina'
_publ_section_title
;
 Tailor-made copper(ii) coordination polymers based on the C3 symmetric
 methanetriacetate as a ligand
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              376
_journal_paper_doi               10.1039/C6CE02351G
_journal_volume                  19
_journal_year                    2017
_chemical_formula_sum            'C54 H52 Cl2 Cu4 N8 O23'
_chemical_formula_weight         1506.09
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2015-09-15 deposited with the CCDC.
2016-11-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 136.335(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.3178(7)
_cell_length_b                   19.0030(3)
_cell_length_c                   25.7513(10)
_cell_measurement_reflns_used    16402
_cell_measurement_temperature    150.0(2)
_cell_measurement_theta_max      73.5730
_cell_measurement_theta_min      3.3290
_cell_volume                     5851.1(8)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector_area_resol_mean 10.5953
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0224
_diffrn_reflns_av_unetI/netI     0.0209
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            34012
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.605
_diffrn_reflns_theta_min         3.404
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    3.256
_exptl_absorpt_correction_T_max  0.883
_exptl_absorpt_correction_T_min  0.644
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Numerical absorption correction based on gaussian integration over
            a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.710
_exptl_crystal_description       needle
_exptl_crystal_F_000             3064
_exptl_crystal_size_max          0.1697
_exptl_crystal_size_mid          0.0660
_exptl_crystal_size_min          0.0410
_refine_diff_density_max         1.097
_refine_diff_density_min         -0.809
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     884
_refine_ls_number_reflns         11540
_refine_ls_number_restraints     51
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0372
_refine_ls_R_factor_gt           0.0326
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0458P)²+6.1781P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0869
_refine_ls_wR_factor_ref         0.0909
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10332
_reflns_number_total             11540
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6ce02351g2.cif
_cod_data_source_block           compound_4
_cod_depositor_comments
'Adding full bibliography for 7227182--7227187.cif.'
_cod_original_cell_volume        5851.1(6)
_cod_database_code               7227185
_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.
;
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.27688(2) 0.12973(2) 0.84887(2) 0.01889(8) Uani 1 1 d . . . . .
Cu2 Cu 0.44424(2) 0.13543(2) 0.83721(2) 0.01735(7) Uani 1 1 d . . . . .
Cu3 Cu 0.55711(2) 0.37070(2) 1.14445(2) 0.01864(8) Uani 1 1 d . . . . .
Cu4 Cu 0.21154(2) 0.62980(2) 0.79777(2) 0.01768(8) Uani 1 1 d . . . . .
C1 C 0.52093(16) 0.14101(10) 0.98206(11) 0.0174(4) Uani 1 1 d . . . . .
C2 C 0.61335(16) 0.16003(10) 1.06488(10) 0.0182(4) Uani 1 1 d . . . . .
H2A H 0.6152 0.2108 1.0695 0.022 Uiso 1 1 calc R U . . .
H2B H 0.6843 0.1456 1.0846 0.022 Uiso 1 1 calc R U . . .
C3 C 0.60246(16) 0.12716(10) 1.11386(11) 0.0164(4) Uani 1 1 d . . . . .
H3 H 0.5235 0.1285 1.0857 0.020 Uiso 1 1 calc R U . . .
C4 C 0.67024(17) 0.16984(10) 1.18672(11) 0.0197(4) Uani 1 1 d . . . . .
H4A H 0.6750 0.1436 1.2213 0.024 Uiso 1 1 calc R U . . .
H4B H 0.7456 0.1768 1.2105 0.024 Uiso 1 1 calc R U . . .
C5 C 0.61668(17) 0.24053(10) 1.17090(10) 0.0188(4) Uani 1 1 d . . . . .
C6 C 0.63966(17) 0.05038(10) 1.12986(11) 0.0185(4) Uani 1 1 d . . . . .
H6A H 0.6186 0.0315 1.0860 0.022 Uiso 1 1 calc R U . . .
H6B H 0.7207 0.0493 1.1712 0.022 Uiso 1 1 calc R U . . .
C7 C 0.59429(17) 0.00168(10) 1.14919(11) 0.0190(4) Uani 1 1 d . . . . .
C8 C 0.30432(16) 0.26257(10) 0.84076(11) 0.0196(4) Uani 1 1 d . . . . .
C9 C 0.33281(17) 0.33211(10) 0.82927(11) 0.0204(4) Uani 1 1 d . . . . .
H9A H 0.2645 0.3574 0.7880 0.025 Uiso 1 1 calc R U . . .
H9B H 0.3725 0.3237 0.8163 0.025 Uiso 1 1 calc R U . . .
C10 C 0.40557(16) 0.37649(10) 0.90089(10) 0.0165(4) Uani 1 1 d . . . . .
H10 H 0.3709 0.3761 0.9185 0.020 Uiso 1 1 calc R U . . .
C11 C 0.52274(16) 0.34412(10) 0.96289(11) 0.0192(4) Uani 1 1 d . . . . .
H11A H 0.5169 0.2937 0.9547 0.023 Uiso 1 1 calc R U . . .
H11B H 0.5695 0.3629 0.9582 0.023 Uiso 1 1 calc R U . . .
C12 C 0.58030(17) 0.35717(10) 1.04254(11) 0.0183(4) Uani 1 1 d . . . . .
C13 C 0.41246(16) 0.45280(10) 0.88606(11) 0.0199(4) Uani 1 1 d . . . . .
H13A H 0.4747 0.4754 0.9338 0.024 Uiso 1 1 calc R U . . .
H13B H 0.4283 0.4532 0.8568 0.024 Uiso 1 1 calc R U . . .
C14 C 0.30729(16) 0.49595(10) 0.84468(11) 0.0193(4) Uani 1 1 d . . . . .
C15 C 0.07882(19) 0.16263(13) 0.68702(13) 0.0315(5) Uani 1 1 d . . . . .
H15 H 0.1257 0.1931 0.6918 0.038 Uiso 1 1 calc R U . . .
C16 C -0.0315(2) 0.15584(15) 0.61779(15) 0.0423(7) Uani 1 1 d . . . . .
H16 H -0.0584 0.1809 0.5763 0.051 Uiso 1 1 calc R U . . .
C17 C -0.1007(2) 0.11142(16) 0.61142(16) 0.0469(8) Uani 1 1 d . . . . .
H17 H -0.1754 0.1068 0.5656 0.056 Uiso 1 1 calc R U . . .
C18 C -0.0591(2) 0.07375(15) 0.67317(16) 0.0419(7) Uani 1 1 d . . . . .
H18 H -0.1049 0.0432 0.6694 0.050 Uiso 1 1 calc R U . . .
C19 C 0.05246(18) 0.08224(12) 0.74110(14) 0.0294(5) Uani 1 1 d . . . . .
C20 C 0.1070(2) 0.04633(12) 0.81151(15) 0.0303(5) Uani 1 1 d . . . . .
C21 C 0.0552(3) -0.00198(14) 0.81843(19) 0.0447(7) Uani 1 1 d . . . . .
H21 H -0.0194 -0.0140 0.7769 0.054 Uiso 1 1 calc R U . . .
C22 C 0.1157(3) -0.03225(15) 0.8879(2) 0.0538(9) Uani 1 1 d . . . . .
H22 H 0.0820 -0.0647 0.8935 0.065 Uiso 1 1 calc R U . . .
C23 C 0.2259(3) -0.01399(14) 0.94851(19) 0.0459(7) Uani 1 1 d . . . . .
H23 H 0.2680 -0.0347 0.9953 0.055 Uiso 1 1 calc R U . . .
C24 C 0.2730(2) 0.03553(12) 0.93889(15) 0.0325(5) Uani 1 1 d . . . . .
H24 H 0.3469 0.0491 0.9802 0.039 Uiso 1 1 calc R U . . .
C25 C 0.63640(19) 0.22948(13) 0.90419(12) 0.0295(5) Uani 1 1 d . . . . .
H25 H 0.6704 0.2124 0.9507 0.035 Uiso 1 1 calc R U . . .
C26 C 0.6919(2) 0.27903(14) 0.90175(14) 0.0364(6) Uani 1 1 d . . . . .
H26 H 0.7628 0.2944 0.9458 0.044 Uiso 1 1 calc R U . . .
C27 C 0.6402(2) 0.30545(14) 0.83260(15) 0.0354(5) Uani 1 1 d . . . . .
H27 H 0.6757 0.3393 0.8297 0.042 Uiso 1 1 calc R U . . .
C28 C 0.5352(2) 0.28097(13) 0.76791(13) 0.0302(5) Uani 1 1 d . . . . .
H28 H 0.4988 0.2986 0.7211 0.036 Uiso 1 1 calc R U . . .
C29 C 0.48525(18) 0.22973(11) 0.77407(11) 0.0222(4) Uani 1 1 d . . . . .
C30 C 0.37641(17) 0.19663(11) 0.70897(12) 0.0215(4) Uani 1 1 d . . . . .
C31 C 0.3092(2) 0.21539(13) 0.63475(13) 0.0310(5) Uani 1 1 d . . . . .
H31 H 0.3315 0.2505 0.6226 0.037 Uiso 1 1 calc R U . . .
C32 C 0.2080(2) 0.18073(13) 0.57874(12) 0.0334(5) Uani 1 1 d . . . . .
H32 H 0.1612 0.1927 0.5285 0.040 Uiso 1 1 calc R U . . .
C33 C 0.1772(2) 0.12869(12) 0.59793(13) 0.0294(5) Uani 1 1 d . . . . .
H33 H 0.1095 0.1052 0.5610 0.035 Uiso 1 1 calc R U . . .
C34 C 0.24852(18) 0.11170(11) 0.67309(12) 0.0235(4) Uani 1 1 d . . . . .
H34 H 0.2280 0.0763 0.6861 0.028 Uiso 1 1 calc R U . . .
C35 C 0.32474(19) 0.42632(13) 1.02025(13) 0.0296(5) Uani 1 1 d . . . . .
H35 H 0.3229 0.4038 0.9873 0.035 Uiso 1 1 calc R U . . .
C36 C 0.2299(2) 0.46114(15) 0.99162(15) 0.0376(6) Uani 1 1 d . . . . .
H36 H 0.1646 0.4608 0.9402 0.045 Uiso 1 1 calc R U . . .
C37 C 0.2339(2) 0.49618(14) 1.04033(16) 0.0395(6) Uani 1 1 d . . . . .
H37 H 0.1716 0.5206 1.0220 0.047 Uiso 1 1 calc R U . . .
C38 C 0.3311(2) 0.49487(13) 1.11669(15) 0.0334(5) Uani 1 1 d . . . . .
H38 H 0.3355 0.5187 1.1503 0.040 Uiso 1 1 calc R U . . .
C39 C 0.42222(18) 0.45724(11) 1.14231(12) 0.0240(4) Uani 1 1 d . . . . .
C40 C 0.52748(19) 0.44659(11) 1.22256(12) 0.0245(4) Uani 1 1 d . . . . .
C41 C 0.5574(2) 0.48345(15) 1.28127(15) 0.0410(6) Uani 1 1 d . . . . .
H41 H 0.5105 0.5180 1.2720 0.049 Uiso 1 1 calc R U . . .
C42 C 0.6581(3) 0.46810(18) 1.35403(15) 0.0484(7) Uani 1 1 d . . . . .
H42 H 0.6814 0.4939 1.3941 0.058 Uiso 1 1 calc R U . . .
C43 C 0.7242(2) 0.41437(15) 1.36719(13) 0.0377(6) Uani 1 1 d . . . . .
H43 H 0.7903 0.4019 1.4160 0.045 Uiso 1 1 calc R U . . .
C44 C 0.68991(19) 0.37927(12) 1.30587(12) 0.0263(4) Uani 1 1 d . . . . .
H44 H 0.7340 0.3432 1.3141 0.032 Uiso 1 1 calc R U . . .
C45 C 0.08720(19) 0.56666(12) 0.64841(12) 0.0262(4) Uani 1 1 d . . . . .
H45 H 0.1440 0.5332 0.6748 0.031 Uiso 1 1 calc R U . . .
C46 C 0.0011(2) 0.56270(14) 0.57082(13) 0.0337(5) Uani 1 1 d . . . . .
H46 H 0.0005 0.5277 0.5453 0.040 Uiso 1 1 calc R U . . .
C47 C -0.0844(2) 0.61171(15) 0.53179(13) 0.0357(5) Uani 1 1 d . . . . .
H47 H -0.1434 0.6099 0.4796 0.043 Uiso 1 1 calc R U . . .
C48 C -0.08103(19) 0.66343(13) 0.57132(12) 0.0302(5) Uani 1 1 d . . . . .
H48 H -0.1384 0.6963 0.5462 0.036 Uiso 1 1 calc R U . . .
C49 C 0.00923(17) 0.66542(11) 0.64900(11) 0.0218(4) Uani 1 1 d . . . . .
C50 C 0.02219(16) 0.71824(11) 0.69693(12) 0.0219(4) Uani 1 1 d . . . . .
C51 C -0.04857(19) 0.77461(12) 0.67007(14) 0.0313(5) Uani 1 1 d . . . . .
H51 H -0.1068 0.7833 0.6187 0.038 Uiso 1 1 calc R U . . .
C52 C -0.0320(2) 0.81807(13) 0.72044(15) 0.0370(6) Uani 1 1 d . . . . .
H52 H -0.0796 0.8559 0.7033 0.044 Uiso 1 1 calc R U . . .
C53 C 0.0561(2) 0.80477(12) 0.79654(15) 0.0327(5) Uani 1 1 d . . . . .
H53 H 0.0682 0.8331 0.8313 0.039 Uiso 1 1 calc R U . . .
C54 C 0.12590(18) 0.74872(11) 0.82004(12) 0.0247(4) Uani 1 1 d . . . . .
H54 H 0.1860 0.7402 0.8713 0.030 Uiso 1 1 calc R U . . .
N1 N 0.11966(15) 0.12649(9) 0.74714(11) 0.0255(4) Uani 1 1 d . . . . .
N2 N 0.21575(16) 0.06442(9) 0.87206(11) 0.0252(4) Uani 1 1 d . . . . .
N3 N 0.53526(15) 0.20512(10) 0.84194(10) 0.0225(4) Uani 1 1 d . . . . .
N4 N 0.34622(14) 0.14494(9) 0.72753(9) 0.0196(3) Uani 1 1 d . . . . .
N5 N 0.41866(15) 0.42434(9) 1.09411(10) 0.0225(4) Uani 1 1 d . . . . .
N6 N 0.59475(15) 0.39636(9) 1.23535(10) 0.0216(3) Uani 1 1 d . . . . .
N7 N 0.09159(14) 0.61706(9) 0.68688(9) 0.0211(3) Uani 1 1 d . . . . .
N8 N 0.11010(13) 0.70626(9) 0.77168(9) 0.0194(3) Uani 1 1 d . . . . .
O1 O 0.54653(12) 0.14089(8) 0.94675(8) 0.0206(3) Uani 1 1 d . . . . .
O2 O 0.42549(12) 0.12973(8) 0.95433(8) 0.0227(3) Uani 1 1 d . . . . .
O3 O 0.67555(12) 0.29660(7) 1.19588(8) 0.0211(3) Uani 1 1 d . . . . .
O4 O 0.51576(12) 0.24391(8) 1.13359(8) 0.0254(3) Uani 1 1 d . . . . .
O5 O 0.51343(14) 0.01702(9) 1.13703(10) 0.0327(4) Uani 1 1 d . . . . .
O6 O 0.64253(11) -0.05924(7) 1.17457(7) 0.0184(3) Uani 1 1 d . . . . .
O7 O 0.31886(11) 0.20602(7) 0.82099(8) 0.0202(3) Uani 1 1 d . . . . .
O8 O 0.26843(14) 0.26072(8) 0.86820(9) 0.0287(3) Uani 1 1 d . . . . .
O9 O 0.51867(12) 0.36375(8) 1.05185(8) 0.0216(3) Uani 1 1 d . . . . .
O10 O 0.68638(12) 0.35743(8) 1.09337(8) 0.0214(3) Uani 1 1 d . . . . .
O11 O 0.30254(12) 0.55360(7) 0.81512(8) 0.0204(3) Uani 1 1 d . . . . .
O12 O 0.23643(13) 0.47849(9) 0.84186(10) 0.0327(4) Uani 1 1 d . . . . .
O1W O 0.30379(17) 0.24223(16) 0.99276(11) 0.0604(7) Uani 1 1 d D . . . .
H1A H 0.3732(17) 0.246(2) 1.0323(15) 0.091 Uiso 1 1 d D U . . .
H1B H 0.286(3) 0.2792(17) 0.968(2) 0.091 Uiso 1 1 d D U . . .
O2W O 0.8798(3) 0.25560(16) 1.4015(2) 0.0883(10) Uani 1 1 d D . . . .
H2WB H 0.911(5) 0.247(3) 1.4488(18) 0.132 Uiso 1 1 d D U . . .
H2WA H 0.900(5) 0.217(2) 1.394(3) 0.132 Uiso 1 1 d D U . . .
O3W O 0.35949(18) 0.12067(10) 1.09361(12) 0.0410(4) Uani 1 1 d D . . . .
H3A H 0.411(2) 0.0946(16) 1.1092(19) 0.062 Uiso 1 1 d D U . . .
H3B H 0.347(3) 0.1497(15) 1.0639(17) 0.062 Uiso 1 1 d D U . . .
Cl1 Cl 0.90724(5) 0.06168(3) 1.36896(3) 0.04516(17) Uani 1 1 d . . . . .
O13 O 0.79617(19) 0.06587(12) 1.33547(15) 0.0631(7) Uani 1 1 d . . . . .
O14 O 0.8978(3) 0.0539(2) 1.30854(17) 0.1162(15) Uani 1 1 d . . . . .
O15 O 0.9647(2) 0.00244(17) 1.4147(2) 0.1126(15) Uani 1 1 d . . . . .
O16 O 0.9702(2) 0.12320(14) 1.40594(18) 0.0813(9) Uani 1 1 d . . . . .
Cl2 Cl -0.0058(2) -0.16700(9) 0.92079(12) 0.0443(6) Uani 0.543(5) 1 d D . P A 1
O17 O 0.1048(4) -0.1775(3) 0.9532(3) 0.0706(15) Uani 0.543(5) 1 d D . P A 1
O18 O -0.0306(8) -0.2245(4) 0.9409(5) 0.106(3) Uani 0.543(5) 1 d D . P A 1
O19 O -0.0787(6) -0.1669(5) 0.8414(4) 0.060(2) Uani 0.543(5) 1 d D . P A 1
O20 O -0.0071(9) -0.1031(4) 0.9458(5) 0.103(4) Uani 0.543(5) 1 d D . P A 1
Cl2A Cl -0.0670(3) -0.14605(12) 0.89421(13) 0.0407(6) Uani 0.457(5) 1 d D . P A
2
O17A O -0.1436(7) -0.0936(3) 0.8744(5) 0.088(2) Uani 0.457(5) 1 d D . P A 2
O18A O -0.0990(9) -0.2101(5) 0.8994(7) 0.110(4) Uani 0.457(5) 1 d D . P A 2
O19A O -0.0697(10) -0.1468(7) 0.8391(6) 0.094(5) Uani 0.457(5) 1 d D . P A 2
O20A O 0.0379(8) -0.1249(6) 0.9621(4) 0.124(6) Uani 0.457(5) 1 d D . 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 0.0181 0.0091 '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'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 '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
O2 Cu1 O7 92.50(6) . .
O2 Cu1 N2 91.98(7) . .
O7 Cu1 N2 170.38(7) . .
O2 Cu1 N1 173.18(7) . .
O7 Cu1 N1 93.27(7) . .
N2 Cu1 N1 81.78(8) . .
O2 Cu1 O6 85.78(6) . 3_657
O7 Cu1 O6 83.09(5) . 3_657
N2 Cu1 O6 105.73(6) . 3_657
N1 Cu1 O6 98.52(6) . 3_657
O6 Cu2 O1 93.18(6) 3_657 .
O6 Cu2 N4 94.40(7) 3_657 .
O1 Cu2 N4 171.48(7) . .
O6 Cu2 N3 172.26(7) 3_657 .
O1 Cu2 N3 91.45(7) . .
N4 Cu2 N3 81.45(7) . .
O6 Cu2 O7 83.43(6) 3_657 .
O1 Cu2 O7 88.99(6) . .
N4 Cu2 O7 88.03(6) . .
N3 Cu2 O7 102.86(6) . .
O9 Cu3 N6 169.63(7) . .
O9 Cu3 N5 93.04(7) . .
N6 Cu3 N5 81.69(7) . .
O9 Cu3 O3 92.36(6) . .
N6 Cu3 O3 95.01(7) . .
N5 Cu3 O3 164.62(7) . .
O9 Cu3 O11 84.93(6) . 3_667
N6 Cu3 O11 88.55(6) . 3_667
N5 Cu3 O11 110.55(6) . 3_667
O3 Cu3 O11 84.27(6) . 3_667
O11 Cu4 O10 91.20(6) . 3_667
O11 Cu4 N8 175.63(6) . .
O10 Cu4 N8 93.15(7) 3_667 .
O11 Cu4 N7 94.05(7) . .
O10 Cu4 N7 172.07(7) 3_667 .
N8 Cu4 N7 81.58(7) . .
O11 Cu4 O3 86.03(6) . 3_667
O10 Cu4 O3 88.99(6) 3_667 3_667
N8 Cu4 O3 94.43(6) . 3_667
N7 Cu4 O3 97.28(6) . 3_667
O2 C1 O1 126.20(18) . .
O2 C1 C2 117.10(17) . .
O1 C1 C2 116.62(17) . .
C1 C2 C3 115.22(16) . .
C1 C2 H2A 108.5 . .
C3 C2 H2A 108.5 . .
C1 C2 H2B 108.5 . .
C3 C2 H2B 108.5 . .
H2A C2 H2B 107.5 . .
C6 C3 C2 109.37(16) . .
C6 C3 C4 111.96(16) . .
C2 C3 C4 110.37(16) . .
C6 C3 H3 108.3 . .
C2 C3 H3 108.3 . .
C4 C3 H3 108.3 . .
C5 C4 C3 111.20(16) . .
C5 C4 H4A 109.4 . .
C3 C4 H4A 109.4 . .
C5 C4 H4B 109.4 . .
C3 C4 H4B 109.4 . .
H4A C4 H4B 108.0 . .
O4 C5 O3 120.49(18) . .
O4 C5 C4 119.91(18) . .
O3 C5 C4 119.59(18) . .
C7 C6 C3 117.09(16) . .
C7 C6 H6A 108.0 . .
C3 C6 H6A 108.0 . .
C7 C6 H6B 108.0 . .
C3 C6 H6B 108.0 . .
H6A C6 H6B 107.3 . .
O5 C7 O6 122.79(19) . .
O5 C7 C6 122.58(18) . .
O6 C7 C6 114.46(17) . .
O8 C8 O7 121.70(19) . .
O8 C8 C9 120.51(18) . .
O7 C8 C9 117.78(18) . .
C8 C9 C10 110.29(16) . .
C8 C9 H9A 109.6 . .
C10 C9 H9A 109.6 . .
C8 C9 H9B 109.6 . .
C10 C9 H9B 109.6 . .
H9A C9 H9B 108.1 . .
C13 C10 C9 111.58(16) . .
C13 C10 C11 110.93(16) . .
C9 C10 C11 110.44(16) . .
C13 C10 H10 107.9 . .
C9 C10 H10 107.9 . .
C11 C10 H10 107.9 . .
C12 C11 C10 114.95(16) . .
C12 C11 H11A 108.5 . .
C10 C11 H11A 108.5 . .
C12 C11 H11B 108.5 . .
C10 C11 H11B 108.5 . .
H11A C11 H11B 107.5 . .
O9 C12 O10 126.72(19) . .
O9 C12 C11 117.09(17) . .
O10 C12 C11 116.12(18) . .
C14 C13 C10 114.61(17) . .
C14 C13 H13A 108.6 . .
C10 C13 H13A 108.6 . .
C14 C13 H13B 108.6 . .
C10 C13 H13B 108.6 . .
H13A C13 H13B 107.6 . .
O12 C14 O11 123.91(18) . .
O12 C14 C13 122.48(18) . .
O11 C14 C13 113.58(17) . .
N1 C15 C16 121.6(3) . .
N1 C15 H15 119.2 . .
C16 C15 H15 119.2 . .
C17 C16 C15 118.9(3) . .
C17 C16 H16 120.6 . .
C15 C16 H16 120.6 . .
C16 C17 C18 119.8(2) . .
C16 C17 H17 120.1 . .
C18 C17 H17 120.1 . .
C17 C18 C19 118.9(3) . .
C17 C18 H18 120.6 . .
C19 C18 H18 120.6 . .
N1 C19 C18 121.0(3) . .
N1 C19 C20 114.5(2) . .
C18 C19 C20 124.5(2) . .
N2 C20 C21 120.7(3) . .
N2 C20 C19 114.7(2) . .
C21 C20 C19 124.6(2) . .
C20 C21 C22 119.2(3) . .
C20 C21 H21 120.4 . .
C22 C21 H21 120.4 . .
C23 C22 C21 119.6(2) . .
C23 C22 H22 120.2 . .
C21 C22 H22 120.2 . .
C22 C23 C24 118.9(3) . .
C22 C23 H23 120.5 . .
C24 C23 H23 120.5 . .
N2 C24 C23 121.9(3) . .
N2 C24 H24 119.1 . .
C23 C24 H24 119.1 . .
N3 C25 C26 122.2(2) . .
N3 C25 H25 118.9 . .
C26 C25 H25 118.9 . .
C25 C26 C27 118.9(2) . .
C25 C26 H26 120.6 . .
C27 C26 H26 120.6 . .
C28 C27 C26 119.3(2) . .
C28 C27 H27 120.3 . .
C26 C27 H27 120.3 . .
C27 C28 C29 119.0(2) . .
C27 C28 H28 120.5 . .
C29 C28 H28 120.5 . .
N3 C29 C28 121.4(2) . .
N3 C29 C30 114.64(18) . .
C28 C29 C30 123.95(19) . .
N4 C30 C31 121.4(2) . .
N4 C30 C29 114.20(18) . .
C31 C30 C29 124.4(2) . .
C30 C31 C32 118.7(2) . .
C30 C31 H31 120.7 . .
C32 C31 H31 120.7 . .
C33 C32 C31 119.6(2) . .
C33 C32 H32 120.2 . .
C31 C32 H32 120.2 . .
C32 C33 C34 119.0(2) . .
C32 C33 H33 120.5 . .
C34 C33 H33 120.5 . .
N4 C34 C33 121.8(2) . .
N4 C34 H34 119.1 . .
C33 C34 H34 119.1 . .
N5 C35 C36 121.6(2) . .
N5 C35 H35 119.2 . .
C36 C35 H35 119.2 . .
C37 C36 C35 119.1(2) . .
C37 C36 H36 120.4 . .
C35 C36 H36 120.4 . .
C36 C37 C38 119.6(2) . .
C36 C37 H37 120.2 . .
C38 C37 H37 120.2 . .
C37 C38 C39 118.7(2) . .
C37 C38 H38 120.6 . .
C39 C38 H38 120.6 . .
N5 C39 C38 121.4(2) . .
N5 C39 C40 114.31(18) . .
C38 C39 C40 124.2(2) . .
N6 C40 C41 121.1(2) . .
N6 C40 C39 114.33(19) . .
C41 C40 C39 124.5(2) . .
C42 C41 C40 118.8(2) . .
C42 C41 H41 120.6 . .
C40 C41 H41 120.6 . .
C43 C42 C41 119.9(2) . .
C43 C42 H42 120.0 . .
C41 C42 H42 120.0 . .
C42 C43 C44 118.6(2) . .
C42 C43 H43 120.7 . .
C44 C43 H43 120.7 . .
N6 C44 C43 121.3(2) . .
N6 C44 H44 119.3 . .
C43 C44 H44 119.3 . .
N7 C45 C46 122.2(2) . .
N7 C45 H45 118.9 . .
C46 C45 H45 118.9 . .
C45 C46 C47 118.8(2) . .
C45 C46 H46 120.6 . .
C47 C46 H46 120.6 . .
C46 C47 C48 119.3(2) . .
C46 C47 H47 120.4 . .
C48 C47 H47 120.4 . .
C47 C48 C49 118.9(2) . .
C47 C48 H48 120.5 . .
C49 C48 H48 120.5 . .
N7 C49 C48 121.6(2) . .
N7 C49 C50 114.64(18) . .
C48 C49 C50 123.7(2) . .
N8 C50 C51 121.4(2) . .
N8 C50 C49 114.12(18) . .
C51 C50 C49 124.5(2) . .
C50 C51 C52 119.2(2) . .
C50 C51 H51 120.4 . .
C52 C51 H51 120.4 . .
C53 C52 C51 119.3(2) . .
C53 C52 H52 120.4 . .
C51 C52 H52 120.4 . .
C54 C53 C52 118.8(2) . .
C54 C53 H53 120.6 . .
C52 C53 H53 120.6 . .
N8 C54 C53 122.3(2) . .
N8 C54 H54 118.9 . .
C53 C54 H54 118.9 . .
C15 N1 C19 119.8(2) . .
C15 N1 Cu1 125.65(16) . .
C19 N1 Cu1 114.54(16) . .
C24 N2 C20 119.8(2) . .
C24 N2 Cu1 125.84(16) . .
C20 N2 Cu1 114.27(16) . .
C25 N3 C29 119.19(19) . .
C25 N3 Cu2 126.51(15) . .
C29 N3 Cu2 114.29(14) . .
C34 N4 C30 119.41(18) . .
C34 N4 Cu2 125.28(14) . .
C30 N4 Cu2 114.64(14) . .
C35 N5 C39 119.60(19) . .
C35 N5 Cu3 126.34(16) . .
C39 N5 Cu3 113.92(14) . .
C44 N6 C40 120.08(19) . .
C44 N6 Cu3 124.95(15) . .
C40 N6 Cu3 113.39(14) . .
C45 N7 C49 119.19(18) . .
C45 N7 Cu4 126.23(15) . .
C49 N7 Cu4 114.58(14) . .
C54 N8 C50 119.01(18) . .
C54 N8 Cu4 126.33(14) . .
C50 N8 Cu4 114.43(14) . .
C1 O1 Cu2 127.50(13) . .
C1 O2 Cu1 130.72(13) . .
C5 O3 Cu3 100.98(12) . .
C5 O3 Cu4 149.80(13) . 3_667
Cu3 O3 Cu4 91.75(5) . 3_667
C7 O6 Cu2 116.30(13) . 3_657
C7 O6 Cu1 132.75(12) . 3_657
Cu2 O6 Cu1 94.15(5) 3_657 3_657
C8 O7 Cu1 103.87(13) . .
C8 O7 Cu2 146.71(13) . .
Cu1 O7 Cu2 93.03(5) . .
C12 O9 Cu3 130.51(13) . .
C12 O10 Cu4 127.48(14) . 3_667
C14 O11 Cu4 117.39(13) . .
C14 O11 Cu3 130.97(12) . 3_667
Cu4 O11 Cu3 93.05(6) . 3_667
H1A O1W H1B 105(3) . .
H2WB O2W H2WA 102(3) . .
H3A O3W H3B 108(2) . .
O15 Cl1 O16 111.7(2) . .
O15 Cl1 O13 112.38(16) . .
O16 Cl1 O13 114.15(17) . .
O15 Cl1 O14 106.3(3) . .
O16 Cl1 O14 104.1(2) . .
O13 Cl1 O14 107.45(18) . .
O20 Cl2 O18 113.5(5) . .
O20 Cl2 O19 111.8(5) . .
O18 Cl2 O19 109.8(5) . .
O20 Cl2 O17 108.3(5) . .
O18 Cl2 O17 108.1(4) . .
O19 Cl2 O17 104.9(4) . .
O18A Cl2A O19A 111.8(7) . .
O18A Cl2A O20A 112.6(6) . .
O19A Cl2A O20A 109.7(7) . .
O18A Cl2A O17A 108.4(5) . .
O19A Cl2A O17A 107.9(6) . .
O20A Cl2A O17A 106.3(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O2 1.9714(15) .
Cu1 O7 1.9752(15) .
Cu1 N2 1.9829(18) .
Cu1 N1 1.9900(19) .
Cu1 O6 2.3076(14) 3_657
Cu2 O6 1.9459(14) 3_657
Cu2 O1 1.9689(14) .
Cu2 N4 1.9888(17) .
Cu2 N3 1.9939(18) .
Cu2 O7 2.3186(14) .
Cu3 O9 1.9621(14) .
Cu3 N6 1.9835(18) .
Cu3 N5 1.9929(18) .
Cu3 O3 2.0035(14) .
Cu3 O11 2.3238(15) 3_667
Cu4 O11 1.9394(14) .
Cu4 O10 1.9679(14) 3_667
Cu4 N8 1.9852(17) .
Cu4 N7 1.9865(17) .
Cu4 O3 2.3116(15) 3_667
C1 O2 1.257(3) .
C1 O1 1.267(2) .
C1 C2 1.517(3) .
C2 C3 1.536(3) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C6 1.526(3) .
C3 C4 1.539(3) .
C3 H3 0.9800 .
C4 C5 1.511(3) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 O4 1.246(3) .
C5 O3 1.280(3) .
C6 C7 1.513(3) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 O5 1.228(3) .
C7 O6 1.294(2) .
C8 O8 1.234(3) .
C8 O7 1.290(2) .
C8 C9 1.513(3) .
C9 C10 1.529(3) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C13 1.526(3) .
C10 C11 1.536(3) .
C10 H10 0.9800 .
C11 C12 1.518(3) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 O9 1.258(3) .
C12 O10 1.268(2) .
C13 C14 1.522(3) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 O12 1.222(3) .
C14 O11 1.302(2) .
C15 N1 1.336(3) .
C15 C16 1.385(3) .
C15 H15 0.9300 .
C16 C17 1.375(5) .
C16 H16 0.9300 .
C17 C18 1.379(5) .
C17 H17 0.9300 .
C18 C19 1.389(3) .
C18 H18 0.9300 .
C19 N1 1.350(3) .
C19 C20 1.472(4) .
C20 N2 1.359(3) .
C20 C21 1.383(3) .
C21 C22 1.385(5) .
C21 H21 0.9300 .
C22 C23 1.374(5) .
C22 H22 0.9300 .
C23 C24 1.381(4) .
C23 H23 0.9300 .
C24 N2 1.333(3) .
C24 H24 0.9300 .
C25 N3 1.338(3) .
C25 C26 1.379(3) .
C25 H25 0.9300 .
C26 C27 1.385(4) .
C26 H26 0.9300 .
C27 C28 1.384(3) .
C27 H27 0.9300 .
C28 C29 1.386(3) .
C28 H28 0.9300 .
C29 N3 1.354(3) .
C29 C30 1.479(3) .
C30 N4 1.352(3) .
C30 C31 1.384(3) .
C31 C32 1.389(3) .
C31 H31 0.9300 .
C32 C33 1.374(3) .
C32 H32 0.9300 .
C33 C34 1.385(3) .
C33 H33 0.9300 .
C34 N4 1.340(3) .
C34 H34 0.9300 .
C35 N5 1.337(3) .
C35 C36 1.388(3) .
C35 H35 0.9300 .
C36 C37 1.377(4) .
C36 H36 0.9300 .
C37 C38 1.383(4) .
C37 H37 0.9300 .
C38 C39 1.389(3) .
C38 H38 0.9300 .
C39 N5 1.351(3) .
C39 C40 1.478(3) .
C40 N6 1.350(3) .
C40 C41 1.383(3) .
C41 C42 1.382(4) .
C41 H41 0.9300 .
C42 C43 1.380(4) .
C42 H42 0.9300 .
C43 C44 1.391(3) .
C43 H43 0.9300 .
C44 N6 1.338(3) .
C44 H44 0.9300 .
C45 N7 1.340(3) .
C45 C46 1.382(3) .
C45 H45 0.9300 .
C46 C47 1.384(4) .
C46 H46 0.9300 .
C47 C48 1.386(4) .
C47 H47 0.9300 .
C48 C49 1.386(3) .
C48 H48 0.9300 .
C49 N7 1.348(3) .
C49 C50 1.477(3) .
C50 N8 1.355(3) .
C50 C51 1.379(3) .
C51 C52 1.381(4) .
C51 H51 0.9300 .
C52 C53 1.381(4) .
C52 H52 0.9300 .
C53 C54 1.380(3) .
C53 H53 0.9300 .
C54 N8 1.336(3) .
C54 H54 0.9300 .
O3 Cu4 2.3116(15) 3_667
O6 Cu2 1.9460(14) 3_657
O6 Cu1 2.3078(14) 3_657
O10 Cu4 1.9679(14) 3_667
O11 Cu3 2.3238(15) 3_667
O1W H1A 0.847(19) .
O1W H1B 0.844(18) .
O2W H2WB 0.926(19) .
O2W H2WA 0.894(19) .
O3W H3A 0.833(17) .
O3W H3B 0.835(18) .
Cl1 O15 1.396(3) .
Cl1 O16 1.400(3) .
Cl1 O13 1.432(2) .
Cl1 O14 1.449(3) .
Cl2 O20 1.383(7) .
Cl2 O18 1.402(6) .
Cl2 O19 1.428(8) .
Cl2 O17 1.446(5) .
Cl2A O18A 1.383(8) .
Cl2A O19A 1.387(9) .
Cl2A O20A 1.387(7) .
Cl2A O17A 1.427(7) .
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
O2 C1 C2 C3 31.2(2) .
O1 C1 C2 C3 -151.61(17) .
C1 C2 C3 C6 77.9(2) .
C1 C2 C3 C4 -158.54(16) .
C6 C3 C4 C5 -167.48(16) .
C2 C3 C4 C5 70.4(2) .
C3 C4 C5 O4 51.7(2) .
C3 C4 C5 O3 -128.10(19) .
C2 C3 C6 C7 -156.36(17) .
C4 C3 C6 C7 81.0(2) .
C3 C6 C7 O5 15.9(3) .
C3 C6 C7 O6 -168.80(17) .
O8 C8 C9 C10 48.6(2) .
O7 C8 C9 C10 -131.36(18) .
C8 C9 C10 C13 -166.21(16) .
C8 C9 C10 C11 69.9(2) .
C13 C10 C11 C12 85.8(2) .
C9 C10 C11 C12 -149.92(17) .
C10 C11 C12 O9 30.0(3) .
C10 C11 C12 O10 -152.73(17) .
C9 C10 C13 C14 74.6(2) .
C11 C10 C13 C14 -161.84(16) .
C10 C13 C14 O12 19.3(3) .
C10 C13 C14 O11 -162.76(17) .
N1 C15 C16 C17 0.9(4) .
C15 C16 C17 C18 -1.1(4) .
C16 C17 C18 C19 0.7(4) .
C17 C18 C19 N1 0.0(3) .
C17 C18 C19 C20 178.9(2) .
N1 C19 C20 N2 1.5(3) .
C18 C19 C20 N2 -177.5(2) .
N1 C19 C20 C21 -178.9(2) .
C18 C19 C20 C21 2.1(4) .
N2 C20 C21 C22 -0.4(4) .
C19 C20 C21 C22 180.0(2) .
C20 C21 C22 C23 -0.2(4) .
C21 C22 C23 C24 1.4(4) .
C22 C23 C24 N2 -2.1(4) .
N3 C25 C26 C27 1.3(4) .
C25 C26 C27 C28 -0.8(4) .
C26 C27 C28 C29 -1.0(4) .
C27 C28 C29 N3 2.3(4) .
C27 C28 C29 C30 -176.4(2) .
N3 C29 C30 N4 -2.5(3) .
C28 C29 C30 N4 176.3(2) .
N3 C29 C30 C31 177.7(2) .
C28 C29 C30 C31 -3.5(4) .
N4 C30 C31 C32 1.1(4) .
C29 C30 C31 C32 -179.1(2) .
C30 C31 C32 C33 -0.5(4) .
C31 C32 C33 C34 -0.3(4) .
C32 C33 C34 N4 0.4(4) .
N5 C35 C36 C37 1.9(4) .
C35 C36 C37 C38 -1.3(4) .
C36 C37 C38 C39 -0.8(4) .
C37 C38 C39 N5 2.3(4) .
C37 C38 C39 C40 -174.7(2) .
N5 C39 C40 N6 -11.0(3) .
C38 C39 C40 N6 166.2(2) .
N5 C39 C40 C41 169.4(2) .
C38 C39 C40 C41 -13.4(4) .
N6 C40 C41 C42 0.1(4) .
C39 C40 C41 C42 179.6(3) .
C40 C41 C42 C43 -3.2(5) .
C41 C42 C43 C44 3.4(5) .
C42 C43 C44 N6 -0.4(4) .
N7 C45 C46 C47 -1.2(4) .
C45 C46 C47 C48 0.3(4) .
C46 C47 C48 C49 1.2(4) .
C47 C48 C49 N7 -2.1(3) .
C47 C48 C49 C50 179.6(2) .
N7 C49 C50 N8 -5.1(3) .
C48 C49 C50 N8 173.3(2) .
N7 C49 C50 C51 176.3(2) .
C48 C49 C50 C51 -5.4(3) .
N8 C50 C51 C52 -2.6(3) .
C49 C50 C51 C52 176.0(2) .
C50 C51 C52 C53 1.0(4) .
C51 C52 C53 C54 0.8(4) .
C52 C53 C54 N8 -1.1(4) .
C16 C15 N1 C19 -0.2(3) .
C16 C15 N1 Cu1 178.52(18) .
C18 C19 N1 C15 -0.2(3) .
C20 C19 N1 C15 -179.21(19) .
C18 C19 N1 Cu1 -179.08(17) .
C20 C19 N1 Cu1 1.9(2) .
C23 C24 N2 C20 1.5(3) .
C23 C24 N2 Cu1 -174.54(18) .
C21 C20 N2 C24 -0.2(3) .
C19 C20 N2 C24 179.42(19) .
C21 C20 N2 Cu1 176.28(17) .
C19 C20 N2 Cu1 -4.1(2) .
C26 C25 N3 C29 0.0(4) .
C26 C25 N3 Cu2 -178.56(19) .
C28 C29 N3 C25 -1.8(3) .
C30 C29 N3 C25 177.0(2) .
C28 C29 N3 Cu2 176.89(17) .
C30 C29 N3 Cu2 -4.3(2) .
C33 C34 N4 C30 0.1(3) .
C33 C34 N4 Cu2 170.31(17) .
C31 C30 N4 C34 -0.9(3) .
C29 C30 N4 C34 179.30(19) .
C31 C30 N4 Cu2 -172.10(18) .
C29 C30 N4 Cu2 8.1(2) .
C36 C35 N5 C39 -0.4(3) .
C36 C35 N5 Cu3 174.93(18) .
C38 C39 N5 C35 -1.7(3) .
C40 C39 N5 C35 175.54(19) .
C38 C39 N5 Cu3 -177.65(17) .
C40 C39 N5 Cu3 -0.4(2) .
C43 C44 N6 C40 -2.8(3) .
C43 C44 N6 Cu3 161.97(19) .
C41 C40 N6 C44 2.9(3) .
C39 C40 N6 C44 -176.66(19) .
C41 C40 N6 Cu3 -163.5(2) .
C39 C40 N6 Cu3 16.9(2) .
C46 C45 N7 C49 0.4(3) .
C46 C45 N7 Cu4 -178.78(17) .
C48 C49 N7 C45 1.3(3) .
C50 C49 N7 C45 179.72(19) .
C48 C49 N7 Cu4 -179.45(17) .
C50 C49 N7 Cu4 -1.0(2) .
C53 C54 N8 C50 -0.4(3) .
C53 C54 N8 Cu4 173.80(17) .
C51 C50 N8 C54 2.3(3) .
C49 C50 N8 C54 -176.42(18) .
C51 C50 N8 Cu4 -172.57(17) .
C49 C50 N8 Cu4 8.7(2) .
O2 C1 O1 Cu2 8.6(3) .
C2 C1 O1 Cu2 -168.33(13) .
O1 C1 O2 Cu1 -16.0(3) .
C2 C1 O2 Cu1 160.89(13) .
O4 C5 O3 Cu3 -8.4(2) .
C4 C5 O3 Cu3 171.43(14) .
O4 C5 O3 Cu4 -121.7(2) 3_667
C4 C5 O3 Cu4 58.2(3) 3_667
O5 C7 O6 Cu2 19.1(3) 3_657
C6 C7 O6 Cu2 -156.25(13) 3_657
O5 C7 O6 Cu1 143.61(17) 3_657
C6 C7 O6 Cu1 -31.7(2) 3_657
O8 C8 O7 Cu1 -1.9(2) .
C9 C8 O7 Cu1 178.14(14) .
O8 C8 O7 Cu2 -120.2(2) .
C9 C8 O7 Cu2 59.8(3) .
O10 C12 O9 Cu3 -4.4(3) .
C11 C12 O9 Cu3 172.55(13) .
O9 C12 O10 Cu4 -1.5(3) 3_667
C11 C12 O10 Cu4 -178.39(12) 3_667
O12 C14 O11 Cu4 22.4(3) .
C13 C14 O11 Cu4 -155.55(13) .
O12 C14 O11 Cu3 144.35(17) 3_667
C13 C14 O11 Cu3 -33.6(2) 3_667
