#------------------------------------------------------------------------------
#$Date: 2019-03-05 10:52:05 +0200 (Tue, 05 Mar 2019) $
#$Revision: 213973 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/04/7050411.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_7050411
loop_
_publ_author_name
'de Hoog, Paul'
'Gamez, Patrick'
'Roubeau, Olivier'
'Lutz, Martin'
'Driessen, Willem L.'
'Spek, Anthony L.'
'Reedijk, Jan'
_publ_section_title
;
 Novel zigzag 1D coordination polymer from copper(ii) chloride and
 N,N'-{2,4-di[(di-pyridin-2-yl)amine]-1,3,5-triazine}ethylenediamine
 exhibiting ferromagnetic interactions
;
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              18
_journal_paper_doi               10.1039/b206344a
_journal_volume                  27
_journal_year                    2003
_chemical_formula_moiety         'C48 H38 Cl5 Cu3 N20, C4 H8 O, 5(C H4 O), Cl'
_chemical_formula_sum            'C57 H66 Cl6 Cu3 N20 O6'
_chemical_formula_weight         1530.62
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.1781(3)
_cell_angle_beta                 104.2576(3)
_cell_angle_gamma                103.0907(3)
_cell_formula_units_Z            2
_cell_length_a                   13.9278(1)
_cell_length_b                   16.1724(1)
_cell_length_c                   16.4180(1)
_cell_measurement_reflns_used    97301
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.02
_cell_volume                     3473.77(4)
_computing_cell_refinement       HKL2000
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        HKL2000
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF-97 (Beurskens et al., 1997)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0466
_diffrn_reflns_av_sigmaI/netI    0.0344
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            77969
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         1.29
_exptl_absorpt_coefficient_mu    1.203
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.463
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1570
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.670
_refine_diff_density_min         -1.297
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     829
_refine_ls_number_reflns         15852
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.0551
_refine_ls_R_factor_gt           0.0439
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0763P)²+2.6452P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1280
_refine_ls_wR_factor_ref         0.1340
_reflns_number_gt                12950
_reflns_number_total             15852
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b206344a.txt
_cod_data_source_block           s2634b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_hydrogen_treatment' value 'constrained' was replaced with
the value 'constr' as specified in the replacement file
'src/cod-tools/trunk/data/replacement-values/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 
;
_cod_original_cell_volume        3473.76(4)
_cod_database_code               7050411
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.39968(2) 0.50420(2) 0.905299(19) 0.01827(8) Uani 1 1 d . . .
Cu2 Cu 0.28728(3) 0.13399(2) 0.54710(2) 0.02502(9) Uani 1 1 d . . .
Cu3 Cu 0.03834(2) 0.10329(2) 0.064503(19) 0.01857(8) Uani 1 1 d . . .
Cl1 Cl 0.55330(5) 0.46651(4) 0.92515(4) 0.02268(14) Uani 1 1 d . . .
Cl2 Cl 0.45902(6) 0.62984(4) 0.85827(4) 0.02974(16) Uani 1 1 d . . .
Cl3 Cl 0.40692(7) 0.09462(6) 0.64955(5) 0.0441(2) Uani 1 1 d . . .
Cl4 Cl 0.01186(5) -0.03650(4) 0.09596(4) 0.02263(14) Uani 1 1 d . . .
Cl5 Cl -0.10177(5) 0.12355(5) 0.09995(4) 0.02656(15) Uani 1 1 d . . .
N1 N 0.12197(17) 0.51433(14) 0.52648(14) 0.0204(4) Uani 1 1 d . . .
H1N H 0.1317 0.5666 0.5540 0.050 Uiso 1 1 d . . .
N2 N 0.19812(19) 0.46888(15) 0.33172(14) 0.0248(5) Uani 1 1 d . . .
H2N H 0.1623 0.4833 0.2878 0.050 Uiso 1 1 d . . .
N3 N 0.19467(16) 0.41876(13) 0.78936(13) 0.0176(4) Uani 1 1 d . . .
N4 N 0.12776(17) 0.23077(14) 0.55355(13) 0.0200(4) Uani 1 1 d . . .
N5 N 0.37188(18) 0.26825(15) 0.43538(14) 0.0236(5) Uani 1 1 d . . .
N6 N 0.21288(17) 0.25116(13) 0.14997(13) 0.0187(4) Uani 1 1 d . . .
C1 C 0.1087(2) 0.50496(18) 0.43561(16) 0.0228(5) Uani 1 1 d . . .
H1A H 0.0772 0.5500 0.4097 0.027 Uiso 1 1 calc R . .
H1B H 0.0621 0.4489 0.4114 0.027 Uiso 1 1 calc R . .
C2 C 0.2114(2) 0.51160(18) 0.41481(17) 0.0234(6) Uani 1 1 d . . .
H2A H 0.2463 0.5725 0.4166 0.028 Uiso 1 1 calc R . .
H2B H 0.2553 0.4855 0.4580 0.028 Uiso 1 1 calc R . .
C11 C 0.13226(19) 0.45008(16) 0.57381(16) 0.0179(5) Uani 1 1 d . . .
N21 N 0.14997(16) 0.46771(13) 0.65811(13) 0.0186(4) Uani 1 1 d . . .
C31 C 0.16738(18) 0.40330(16) 0.70163(15) 0.0168(5) Uani 1 1 d . . .
N41 N 0.16565(16) 0.32490(14) 0.67131(13) 0.0187(4) Uani 1 1 d . . .
C51 C 0.13877(19) 0.31415(16) 0.58694(16) 0.0178(5) Uani 1 1 d . . .
N61 N 0.12359(16) 0.37274(14) 0.53433(13) 0.0187(4) Uani 1 1 d . . .
C12 C 0.2308(2) 0.39888(16) 0.32031(16) 0.0199(5) Uani 1 1 d . . .
N22 N 0.28790(17) 0.37138(14) 0.38702(13) 0.0212(5) Uani 1 1 d . . .
C32 C 0.31644(19) 0.30146(17) 0.36827(16) 0.0200(5) Uani 1 1 d . . .
N42 N 0.29499(17) 0.25806(14) 0.29200(13) 0.0200(4) Uani 1 1 d . . .
C52 C 0.23980(19) 0.29336(16) 0.23148(16) 0.0189(5) Uani 1 1 d . . .
N62 N 0.20408(17) 0.36190(14) 0.23946(13) 0.0206(4) Uani 1 1 d . . .
C13 C 0.1829(2) 0.49343(16) 0.83000(16) 0.0195(5) Uani 1 1 d . . .
N23 N 0.26403(17) 0.53699(14) 0.88969(14) 0.0214(5) Uani 1 1 d . . .
C33 C 0.2553(2) 0.60726(19) 0.9322(2) 0.0314(7) Uani 1 1 d . . .
H33 H 0.3126 0.6391 0.9747 0.038 Uiso 1 1 calc R . .
C43 C 0.1653(3) 0.6341(2) 0.9154(2) 0.0379(8) Uani 1 1 d . . .
H43 H 0.1613 0.6839 0.9457 0.045 Uiso 1 1 calc R . .
C53 C 0.0817(2) 0.5875(2) 0.8544(2) 0.0346(7) Uani 1 1 d . . .
H53 H 0.0191 0.6046 0.8427 0.042 Uiso 1 1 calc R . .
C63 C 0.0894(2) 0.51579(19) 0.81040(18) 0.0254(6) Uani 1 1 d . . .
H63 H 0.0328 0.4827 0.7681 0.030 Uiso 1 1 calc R . .
C14 C 0.22725(19) 0.35573(16) 0.84152(15) 0.0165(5) Uani 1 1 d . . .
N24 N 0.32003(16) 0.38118(14) 0.89542(13) 0.0179(4) Uani 1 1 d . . .
C34 C 0.3542(2) 0.32422(18) 0.94546(16) 0.0221(5) Uani 1 1 d . . .
H34 H 0.4195 0.3415 0.9847 0.026 Uiso 1 1 calc R . .
C44 C 0.2980(2) 0.24202(17) 0.94168(17) 0.0230(5) Uani 1 1 d . . .
H44 H 0.3252 0.2027 0.9764 0.028 Uiso 1 1 calc R . .
C54 C 0.2013(2) 0.21676(17) 0.88685(16) 0.0224(5) Uani 1 1 d . . .
H54 H 0.1609 0.1603 0.8840 0.027 Uiso 1 1 calc R . .
C64 C 0.1644(2) 0.27535(17) 0.83610(16) 0.0204(5) Uani 1 1 d . . .
H64 H 0.0978 0.2605 0.7987 0.024 Uiso 1 1 calc R . .
C15 C 0.1127(2) 0.20472(16) 0.46693(16) 0.0211(5) Uani 1 1 d . . .
N25 N 0.16778(18) 0.15066(14) 0.45181(14) 0.0217(5) Uani 1 1 d . . .
C35 C 0.1490(2) 0.11570(18) 0.37182(17) 0.0271(6) Uani 1 1 d . . .
H35 H 0.1847 0.0747 0.3611 0.033 Uiso 1 1 calc R . .
C45 C 0.0804(2) 0.13683(19) 0.30530(18) 0.0290(6) Uani 1 1 d . . .
H45 H 0.0696 0.1116 0.2496 0.035 Uiso 1 1 calc R . .
C55 C 0.0271(3) 0.19563(19) 0.32109(18) 0.0316(7) Uani 1 1 d . . .
H55 H -0.0195 0.2123 0.2758 0.038 Uiso 1 1 calc R . .
C65 C 0.0420(2) 0.23008(18) 0.40312(18) 0.0271(6) Uani 1 1 d . . .
H65 H 0.0053 0.2697 0.4154 0.033 Uiso 1 1 calc R . .
C16 C 0.1197(2) 0.16505(17) 0.60954(16) 0.0235(6) Uani 1 1 d . . .
N26 N 0.1895(2) 0.11916(15) 0.62022(14) 0.0268(5) Uani 1 1 d . . .
C36 C 0.1834(3) 0.0575(2) 0.67397(19) 0.0359(7) Uani 1 1 d . . .
H36 H 0.2322 0.0240 0.6819 0.043 Uiso 1 1 calc R . .
C46 C 0.1094(3) 0.0416(2) 0.71737(19) 0.0385(8) Uani 1 1 d . . .
H46 H 0.1087 -0.0005 0.7562 0.046 Uiso 1 1 calc R . .
C56 C 0.0362(3) 0.08793(19) 0.70350(19) 0.0335(7) Uani 1 1 d . . .
H56 H -0.0170 0.0769 0.7313 0.040 Uiso 1 1 calc R . .
C66 C 0.0408(2) 0.15076(18) 0.64854(18) 0.0284(6) Uani 1 1 d . . .
H66 H -0.0091 0.1833 0.6379 0.034 Uiso 1 1 calc R . .
C17 C 0.4055(2) 0.31231(19) 0.51882(16) 0.0236(6) Uani 1 1 d . . .
N27 N 0.36780(18) 0.27267(15) 0.57763(14) 0.0236(5) Uani 1 1 d . . .
C37 C 0.4020(2) 0.3103(2) 0.65750(17) 0.0282(6) Uani 1 1 d . . .
H37 H 0.3762 0.2821 0.7002 0.034 Uiso 1 1 calc R . .
C47 C 0.4722(2) 0.3875(2) 0.68020(18) 0.0325(7) Uani 1 1 d . . .
H47 H 0.4938 0.4125 0.7370 0.039 Uiso 1 1 calc R . .
C57 C 0.5113(2) 0.4283(2) 0.6173(2) 0.0363(7) Uani 1 1 d . . .
H57 H 0.5604 0.4815 0.6309 0.044 Uiso 1 1 calc R . .
C67 C 0.4775(2) 0.3901(2) 0.53530(18) 0.0309(7) Uani 1 1 d . . .
H67 H 0.5028 0.4162 0.4914 0.037 Uiso 1 1 calc R . .
C18 C 0.4042(2) 0.1920(2) 0.42223(17) 0.0292(7) Uani 1 1 d . . .
N28 N 0.3713(2) 0.12712(17) 0.46265(15) 0.0313(6) Uani 1 1 d . . .
C38 C 0.4005(3) 0.0538(2) 0.4512(2) 0.0455(9) Uani 1 1 d . . .
H38 H 0.3783 0.0068 0.4806 0.055 Uiso 1 1 calc R . .
C48 C 0.4614(4) 0.0457(3) 0.3983(2) 0.0612(13) Uani 1 1 d . . .
H48 H 0.4794 -0.0067 0.3902 0.073 Uiso 1 1 calc R . .
C58 C 0.4958(3) 0.1143(3) 0.3574(2) 0.0572(12) Uani 1 1 d . . .
H58 H 0.5382 0.1098 0.3209 0.069 Uiso 1 1 calc R . .
C68 C 0.4683(3) 0.1902(3) 0.3696(2) 0.0428(9) Uani 1 1 d . . .
H68 H 0.4923 0.2390 0.3430 0.051 Uiso 1 1 calc R . .
C19 C 0.1502(2) 0.28208(17) 0.08132(15) 0.0192(5) Uani 1 1 d . . .
N29 N 0.06697(17) 0.22474(14) 0.03584(13) 0.0202(4) Uani 1 1 d . . .
C39 C 0.0037(2) 0.25140(19) -0.02806(17) 0.0254(6) Uani 1 1 d . . .
H39 H -0.0544 0.2109 -0.0618 0.031 Uiso 1 1 calc R . .
C49 C 0.0196(2) 0.33480(19) -0.04647(18) 0.0279(6) Uani 1 1 d . . .
H49 H -0.0283 0.3524 -0.0899 0.033 Uiso 1 1 calc R . .
C59 C 0.1075(2) 0.39264(19) -0.00004(18) 0.0286(6) Uani 1 1 d . . .
H59 H 0.1211 0.4505 -0.0122 0.034 Uiso 1 1 calc R . .
C69 C 0.1751(2) 0.36619(17) 0.06370(16) 0.0234(6) Uani 1 1 d . . .
H69 H 0.2369 0.4045 0.0947 0.028 Uiso 1 1 calc R . .
C110 C 0.2568(2) 0.18328(16) 0.13151(15) 0.0186(5) Uani 1 1 d . . .
N210 N 0.19117(16) 0.11385(14) 0.08506(13) 0.0188(4) Uani 1 1 d . . .
C310 C 0.2301(2) 0.05181(17) 0.05764(17) 0.0237(6) Uani 1 1 d . . .
H310 H 0.1845 0.0034 0.0229 0.028 Uiso 1 1 calc R . .
C410 C 0.3328(2) 0.05620(18) 0.07810(18) 0.0254(6) Uani 1 1 d . . .
H410 H 0.3578 0.0118 0.0576 0.030 Uiso 1 1 calc R . .
C510 C 0.4000(2) 0.12673(19) 0.12943(17) 0.0251(6) Uani 1 1 d . . .
H510 H 0.4712 0.1301 0.1459 0.030 Uiso 1 1 calc R . .
C610 C 0.3620(2) 0.19178(18) 0.15620(16) 0.0221(5) Uani 1 1 d . . .
H610 H 0.4064 0.2409 0.1905 0.026 Uiso 1 1 calc R . .
Cl6 Cl 0.09500(9) 0.70954(10) 0.28414(10) 0.1035(6) Uani 1 1 d . . .
O111 O 0.3533(2) 0.8175(2) 0.0081(2) 0.0640(8) Uani 1 1 d . . .
C211 C 0.3112(3) 0.8140(3) 0.0781(3) 0.0572(11) Uani 1 1 d . . .
H21A H 0.2649 0.7572 0.0763 0.069 Uiso 1 1 calc R . .
H21B H 0.2716 0.8577 0.0776 0.069 Uiso 1 1 calc R . .
C311 C 0.3984(3) 0.8302(3) 0.1562(3) 0.0565(10) Uani 1 1 d . . .
H31A H 0.4287 0.8920 0.1721 0.068 Uiso 1 1 calc R . .
H31B H 0.3770 0.8038 0.2044 0.068 Uiso 1 1 calc R . .
C411 C 0.4703(4) 0.7872(3) 0.1271(3) 0.0601(11) Uani 1 1 d . . .
H41A H 0.4503 0.7247 0.1289 0.072 Uiso 1 1 calc R . .
H41B H 0.5414 0.8096 0.1618 0.072 Uiso 1 1 calc R . .
C511 C 0.4584(3) 0.8103(3) 0.0365(3) 0.0596(11) Uani 1 1 d . . .
H51A H 0.5068 0.8650 0.0347 0.072 Uiso 1 1 calc R . .
H51B H 0.4707 0.7652 0.0008 0.072 Uiso 1 1 calc R . .
O112 O 0.14992(17) 0.56792(14) 0.19222(14) 0.0340(5) Uani 1 1 d . . .
H1O H 0.1260 0.6082 0.2075 0.050 Uiso 1 1 d . . .
C212 C 0.2482(3) 0.5933(2) 0.1793(2) 0.0422(8) Uani 1 1 d . . .
H1M H 0.2925 0.6350 0.2256 0.063 Uiso 1 1 d . . .
H2M H 0.2438 0.6189 0.1257 0.063 Uiso 1 1 d . . .
H3M H 0.2767 0.5433 0.1770 0.063 Uiso 1 1 d . . .
O113 O 0.51802(17) 0.38939(18) 0.32546(15) 0.0489(7) Uani 1 1 d . . .
H2O H 0.5176 0.3958 0.2645 0.050 Uiso 1 1 d . . .
C213 C 0.6240(3) 0.4173(3) 0.3687(2) 0.0494(10) Uani 1 1 d . . .
H4M H 0.6386 0.4767 0.3935 0.074 Uiso 1 1 d . . .
H5M H 0.6653 0.4142 0.3291 0.074 Uiso 1 1 d . . .
H6M H 0.6406 0.3811 0.4141 0.074 Uiso 1 1 d . . .
O114 O 0.2052(3) 0.9189(3) 0.3192(2) 0.0789(10) Uani 1 1 d . . .
H3O H 0.1892 0.8652 0.3176 0.050 Uiso 1 1 d . . .
C214 C 0.2441(4) 0.9429(5) 0.2506(3) 0.0867(18) Uani 1 1 d . . .
H7M H 0.2475 1.0027 0.2443 0.130 Uiso 1 1 d . . .
H8M H 0.2031 0.9072 0.1996 0.130 Uiso 1 1 d . . .
H9M H 0.3153 0.9343 0.2626 0.130 Uiso 1 1 d . . .
O115 O 0.2025(5) 0.9726(3) 0.4831(3) 0.134(2) Uani 1 1 d . . .
H4O H 0.1821 0.9580 0.4303 0.050 Uiso 1 1 d . . .
C215 C 0.1916(6) 0.8977(4) 0.5280(4) 0.0936(19) Uani 1 1 d . . .
H10M H 0.2624 0.8889 0.5558 0.140 Uiso 1 1 d . . .
H11M H 0.1579 0.8446 0.4871 0.140 Uiso 1 1 d . . .
H12M H 0.1557 0.8991 0.5697 0.140 Uiso 1 1 d . . .
O116 O 0.2695(4) 0.7315(3) 0.4387(3) 0.1262(19) Uani 1 1 d . . .
H5O H 0.2165 0.7459 0.4077 0.050 Uiso 1 1 d . . .
C216 C 0.3575(4) 0.7764(3) 0.4121(3) 0.0687(14) Uani 1 1 d . . .
H13M H 0.3388 0.8183 0.3746 0.103 Uiso 1 1 d . . .
H14M H 0.3807 0.7339 0.3833 0.103 Uiso 1 1 d . . .
H15M H 0.4103 0.8039 0.4627 0.103 Uiso 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'
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'
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'
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
_geom_angle_publ_flag
N24 Cu1 N23 87.18(9) . . ?
N24 Cu1 Cl2 156.13(6) . . ?
N23 Cu1 Cl2 87.35(7) . . ?
N24 Cu1 Cl1 92.54(6) . . ?
N23 Cu1 Cl1 179.08(7) . . ?
Cl2 Cu1 Cl1 93.25(3) . . ?
N24 Cu1 Cl1 97.44(6) . 2_667 ?
N23 Cu1 Cl1 93.03(6) . 2_667 ?
Cl2 Cu1 Cl1 106.04(3) . 2_667 ?
Cl1 Cu1 Cl1 86.13(2) . 2_667 ?
N26 Cu2 N28 169.36(10) . . ?
N26 Cu2 N25 86.43(10) . . ?
N28 Cu2 N25 90.43(9) . . ?
N26 Cu2 N27 102.45(9) . . ?
N28 Cu2 N27 87.98(10) . . ?
N25 Cu2 N27 96.25(9) . . ?
N26 Cu2 Cl3 91.10(8) . . ?
N28 Cu2 Cl3 90.53(7) . . ?
N25 Cu2 Cl3 171.46(7) . . ?
N27 Cu2 Cl3 92.27(6) . . ?
N29 Cu3 N210 86.44(9) . . ?
N29 Cu3 Cl5 88.62(7) . . ?
N210 Cu3 Cl5 154.11(6) . . ?
N29 Cu3 Cl4 177.54(7) . . ?
N210 Cu3 Cl4 91.30(6) . . ?
Cl5 Cu3 Cl4 93.84(3) . . ?
N29 Cu3 Cl4 94.24(6) . 2 ?
N210 Cu3 Cl4 95.74(6) . 2 ?
Cl5 Cu3 Cl4 109.97(3) . 2 ?
Cl4 Cu3 Cl4 85.01(2) . 2 ?
Cu1 Cl1 Cu1 93.88(2) . 2_667 ?
Cu3 Cl4 Cu3 94.99(2) . 2 ?
C11 N1 C1 122.2(2) . . ?
C11 N1 H1N 117.1 . . ?
C1 N1 H1N 120.2 . . ?
C12 N2 C2 123.0(2) . . ?
C12 N2 H2N 115.2 . . ?
C2 N2 H2N 121.4 . . ?
C31 N3 C13 121.4(2) . . ?
C31 N3 C14 120.6(2) . . ?
C13 N3 C14 117.8(2) . . ?
C51 N4 C15 125.0(2) . . ?
C51 N4 C16 117.3(2) . . ?
C15 N4 C16 117.3(2) . . ?
C32 N5 C18 120.6(2) . . ?
C32 N5 C17 121.3(2) . . ?
C18 N5 C17 117.9(2) . . ?
C52 N6 C19 120.2(2) . . ?
C52 N6 C110 121.2(2) . . ?
C19 N6 C110 118.2(2) . . ?
N1 C1 C2 110.9(2) . . ?
N1 C1 H1A 109.5 . . ?
C2 C1 H1A 109.5 . . ?
N1 C1 H1B 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 108.0 . . ?
N2 C2 C1 111.5(2) . . ?
N2 C2 H2A 109.3 . . ?
C1 C2 H2A 109.3 . . ?
N2 C2 H2B 109.3 . . ?
C1 C2 H2B 109.3 . . ?
H2A C2 H2B 108.0 . . ?
N1 C11 N21 116.8(2) . . ?
N1 C11 N61 118.0(2) . . ?
N21 C11 N61 125.1(2) . . ?
C31 N21 C11 113.6(2) . . ?
N21 C31 N41 127.4(2) . . ?
N21 C31 N3 117.0(2) . . ?
N41 C31 N3 115.5(2) . . ?
C51 N41 C31 112.6(2) . . ?
N61 C51 N41 127.4(2) . . ?
N61 C51 N4 118.7(2) . . ?
N41 C51 N4 113.8(2) . . ?
C51 N61 C11 113.4(2) . . ?
N2 C12 N22 119.0(2) . . ?
N2 C12 N62 115.9(2) . . ?
N22 C12 N62 125.1(2) . . ?
C32 N22 C12 113.8(2) . . ?
N22 C32 N42 127.4(2) . . ?
N22 C32 N5 116.2(2) . . ?
N42 C32 N5 116.3(2) . . ?
C52 N42 C32 112.4(2) . . ?
N62 C52 N42 127.9(2) . . ?
N62 C52 N6 116.1(2) . . ?
N42 C52 N6 116.0(2) . . ?
C52 N62 C12 113.4(2) . . ?
N23 C13 C63 123.2(2) . . ?
N23 C13 N3 115.9(2) . . ?
C63 C13 N3 120.8(2) . . ?
C13 N23 C33 118.0(2) . . ?
C13 N23 Cu1 119.45(17) . . ?
C33 N23 Cu1 122.18(19) . . ?
N23 C33 C43 122.0(3) . . ?
N23 C33 H33 119.0 . . ?
C43 C33 H33 119.0 . . ?
C53 C43 C33 119.1(3) . . ?
C53 C43 H43 120.4 . . ?
C33 C43 H43 120.4 . . ?
C43 C53 C63 119.6(3) . . ?
C43 C53 H53 120.2 . . ?
C63 C53 H53 120.2 . . ?
C53 C63 C13 118.0(3) . . ?
C53 C63 H63 121.0 . . ?
C13 C63 H63 121.0 . . ?
N24 C14 C64 123.5(2) . . ?
N24 C14 N3 115.6(2) . . ?
C64 C14 N3 120.9(2) . . ?
C14 N24 C34 117.8(2) . . ?
C14 N24 Cu1 119.81(17) . . ?
C34 N24 Cu1 122.23(18) . . ?
N24 C34 C44 122.2(2) . . ?
N24 C34 H34 118.9 . . ?
C44 C34 H34 118.9 . . ?
C34 C44 C54 119.5(3) . . ?
C34 C44 H44 120.3 . . ?
C54 C44 H44 120.3 . . ?
C44 C54 C64 118.8(2) . . ?
C44 C54 H54 120.6 . . ?
C64 C54 H54 120.6 . . ?
C14 C64 C54 118.1(2) . . ?
C14 C64 H64 121.0 . . ?
C54 C64 H64 121.0 . . ?
N25 C15 C65 122.9(2) . . ?
N25 C15 N4 114.8(2) . . ?
C65 C15 N4 122.3(2) . . ?
C15 N25 C35 118.0(2) . . ?
C15 N25 Cu2 119.43(17) . . ?
C35 N25 Cu2 122.21(19) . . ?
N25 C35 C45 122.8(3) . . ?
N25 C35 H35 118.6 . . ?
C45 C35 H35 118.6 . . ?
C35 C45 C55 118.7(3) . . ?
C35 C45 H45 120.7 . . ?
C55 C45 H45 120.7 . . ?
C45 C55 C65 119.8(3) . . ?
C45 C55 H55 120.1 . . ?
C65 C55 H55 120.1 . . ?
C55 C65 C15 117.8(3) . . ?
C55 C65 H65 121.1 . . ?
C15 C65 H65 121.1 . . ?
N26 C16 C66 123.0(3) . . ?
N26 C16 N4 117.1(2) . . ?
C66 C16 N4 119.9(3) . . ?
C16 N26 C36 117.7(3) . . ?
C16 N26 Cu2 119.16(19) . . ?
C36 N26 Cu2 122.8(2) . . ?
N26 C36 C46 122.7(3) . . ?
N26 C36 H36 118.6 . . ?
C46 C36 H36 118.6 . . ?
C36 C46 C56 118.7(3) . . ?
C36 C46 H46 120.6 . . ?
C56 C46 H46 120.6 . . ?
C46 C56 C66 119.4(3) . . ?
C46 C56 H56 120.3 . . ?
C66 C56 H56 120.3 . . ?
C16 C66 C56 118.5(3) . . ?
C16 C66 H66 120.7 . . ?
C56 C66 H66 120.7 . . ?
N27 C17 C67 123.5(2) . . ?
N27 C17 N5 116.3(2) . . ?
C67 C17 N5 120.0(3) . . ?
C17 N27 C37 117.7(3) . . ?
C17 N27 Cu2 117.69(18) . . ?
C37 N27 Cu2 122.3(2) . . ?
N27 C37 C47 123.2(3) . . ?
N27 C37 H37 118.4 . . ?
C47 C37 H37 118.4 . . ?
C37 C47 C57 118.2(3) . . ?
C37 C47 H47 120.9 . . ?
C57 C47 H47 120.9 . . ?
C67 C57 C47 119.1(3) . . ?
C67 C57 H57 120.4 . . ?
C47 C57 H57 120.4 . . ?
C57 C67 C17 118.1(3) . . ?
C57 C67 H67 120.9 . . ?
C17 C67 H67 120.9 . . ?
N28 C18 C68 123.9(3) . . ?
N28 C18 N5 116.7(2) . . ?
C68 C18 N5 119.4(3) . . ?
C18 N28 C38 118.0(3) . . ?
C18 N28 Cu2 123.32(19) . . ?
C38 N28 Cu2 118.5(2) . . ?
N28 C38 C48 122.0(4) . . ?
N28 C38 H38 119.0 . . ?
C48 C38 H38 119.0 . . ?
C58 C48 C38 119.1(3) . . ?
C58 C48 H48 120.4 . . ?
C38 C48 H48 120.4 . . ?
C48 C58 C68 119.7(3) . . ?
C48 C58 H58 120.2 . . ?
C68 C58 H58 120.2 . . ?
C58 C68 C18 117.3(4) . . ?
C58 C68 H68 121.3 . . ?
C18 C68 H68 121.3 . . ?
N29 C19 C69 122.9(2) . . ?
N29 C19 N6 115.7(2) . . ?
C69 C19 N6 121.4(2) . . ?
C19 N29 C39 118.0(2) . . ?
C19 N29 Cu3 120.17(18) . . ?
C39 N29 Cu3 121.83(19) . . ?
N29 C39 C49 122.7(3) . . ?
N29 C39 H39 118.6 . . ?
C49 C39 H39 118.6 . . ?
C39 C49 C59 118.3(3) . . ?
C39 C49 H49 120.8 . . ?
C59 C49 H49 120.8 . . ?
C69 C59 C49 119.9(3) . . ?
C69 C59 H59 120.0 . . ?
C49 C59 H59 120.0 . . ?
C59 C69 C19 118.0(3) . . ?
C59 C69 H69 121.0 . . ?
C19 C69 H69 121.0 . . ?
N210 C110 C610 122.8(2) . . ?
N210 C110 N6 115.8(2) . . ?
C610 C110 N6 121.3(2) . . ?
C110 N210 C310 118.1(2) . . ?
C110 N210 Cu3 118.91(17) . . ?
C310 N210 Cu3 122.91(18) . . ?
N210 C310 C410 122.5(3) . . ?
N210 C310 H310 118.8 . . ?
C410 C310 H310 118.8 . . ?
C310 C410 C510 119.0(3) . . ?
C310 C410 H410 120.5 . . ?
C510 C410 H410 120.5 . . ?
C610 C510 C410 119.4(3) . . ?
C610 C510 H510 120.3 . . ?
C410 C510 H510 120.3 . . ?
C510 C610 C110 118.2(2) . . ?
C510 C610 H610 120.9 . . ?
C110 C610 H610 120.9 . . ?
C211 O111 C511 108.5(3) . . ?
O111 C211 C311 107.3(3) . . ?
O111 C211 H21A 110.2 . . ?
C311 C211 H21A 110.2 . . ?
O111 C211 H21B 110.2 . . ?
C311 C211 H21B 110.2 . . ?
H21A C211 H21B 108.5 . . ?
C411 C311 C211 100.7(3) . . ?
C411 C311 H31A 111.6 . . ?
C211 C311 H31A 111.6 . . ?
C411 C311 H31B 111.6 . . ?
C211 C311 H31B 111.6 . . ?
H31A C311 H31B 109.4 . . ?
C311 C411 C511 102.4(3) . . ?
C311 C411 H41A 111.3 . . ?
C511 C411 H41A 111.3 . . ?
C311 C411 H41B 111.3 . . ?
C511 C411 H41B 111.3 . . ?
H41A C411 H41B 109.2 . . ?
O111 C511 C411 104.8(3) . . ?
O111 C511 H51A 110.8 . . ?
C411 C511 H51A 110.8 . . ?
O111 C511 H51B 110.8 . . ?
C411 C511 H51B 110.8 . . ?
H51A C511 H51B 108.9 . . ?
C212 O112 H1O 115.3 . . ?
O112 C212 H1M 109.7 . . ?
O112 C212 H2M 109.5 . . ?
H1M C212 H2M 109.5 . . ?
O112 C212 H3M 109.4 . . ?
H1M C212 H3M 109.5 . . ?
H2M C212 H3M 109.2 . . ?
C213 O113 H2O 103.1 . . ?
O113 C213 H4M 109.3 . . ?
O113 C213 H5M 109.8 . . ?
H4M C213 H5M 109.3 . . ?
O113 C213 H6M 109.7 . . ?
H4M C213 H6M 109.0 . . ?
H5M C213 H6M 109.8 . . ?
C214 O114 H3O 109.7 . . ?
O114 C214 H7M 110.1 . . ?
O114 C214 H8M 110.4 . . ?
H7M C214 H8M 111.5 . . ?
O114 C214 H9M 108.0 . . ?
H7M C214 H9M 108.4 . . ?
H8M C214 H9M 108.3 . . ?
C215 O115 H4O 109.6 . . ?
O115 C215 H10M 109.3 . . ?
O115 C215 H11M 110.5 . . ?
H10M C215 H11M 103.6 . . ?
O115 C215 H12M 114.4 . . ?
H10M C215 H12M 108.8 . . ?
H11M C215 H12M 109.6 . . ?
C216 O116 H5O 106.8 . . ?
O116 C216 H13M 110.0 . . ?
O116 C216 H14M 107.3 . . ?
H13M C216 H14M 110.8 . . ?
O116 C216 H15M 107.6 . . ?
H13M C216 H15M 110.7 . . ?
H14M C216 H15M 110.3 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 N24 2.025(2) . ?
Cu1 N23 2.035(2) . ?
Cu1 Cl2 2.2541(7) . ?
Cu1 Cl1 2.3061(7) . ?
Cu1 Cl1 2.6950(7) 2_667 ?
Cu2 N26 2.008(2) . ?
Cu2 N28 2.037(3) . ?
Cu2 N25 2.060(2) . ?
Cu2 N27 2.244(2) . ?
Cu2 Cl3 2.2787(8) . ?
Cu3 N29 2.012(2) . ?
Cu3 N210 2.038(2) . ?
Cu3 Cl5 2.2557(7) . ?
Cu3 Cl4 2.3061(7) . ?
Cu3 Cl4 2.6703(7) 2 ?
Cl1 Cu1 2.6950(7) 2_667 ?
Cl4 Cu3 2.6703(7) 2 ?
N1 C11 1.333(3) . ?
N1 C1 1.455(3) . ?
N1 H1N 0.9089 . ?
N2 C12 1.335(4) . ?
N2 C2 1.456(3) . ?
N2 H2N 0.8435 . ?
N3 C31 1.394(3) . ?
N3 C13 1.419(3) . ?
N3 C14 1.436(3) . ?
N4 C51 1.397(3) . ?
N4 C15 1.418(3) . ?
N4 C16 1.435(3) . ?
N5 C32 1.383(3) . ?
N5 C18 1.432(4) . ?
N5 C17 1.436(3) . ?
N6 C52 1.402(3) . ?
N6 C19 1.428(3) . ?
N6 C110 1.429(3) . ?
C1 C2 1.532(4) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C11 N21 1.352(3) . ?
C11 N61 1.353(3) . ?
N21 C31 1.319(3) . ?
C31 N41 1.337(3) . ?
N41 C51 1.336(3) . ?
C51 N61 1.324(3) . ?
C12 N22 1.341(3) . ?
C12 N62 1.361(3) . ?
N22 C32 1.330(3) . ?
C32 N42 1.343(3) . ?
N42 C52 1.330(3) . ?
C52 N62 1.328(3) . ?
C13 N23 1.333(3) . ?
C13 C63 1.394(4) . ?
N23 C33 1.355(4) . ?
C33 C43 1.385(4) . ?
C33 H33 0.9500 . ?
C43 C53 1.378(5) . ?
C43 H43 0.9500 . ?
C53 C63 1.382(4) . ?
C53 H53 0.9500 . ?
C63 H63 0.9500 . ?
C14 N24 1.338(3) . ?
C14 C64 1.379(4) . ?
N24 C34 1.347(3) . ?
C34 C44 1.372(4) . ?
C34 H34 0.9500 . ?
C44 C54 1.385(4) . ?
C44 H44 0.9500 . ?
C54 C64 1.388(4) . ?
C54 H54 0.9500 . ?
C64 H64 0.9500 . ?
C15 N25 1.340(3) . ?
C15 C65 1.394(4) . ?
N25 C35 1.349(3) . ?
C35 C45 1.373(4) . ?
C35 H35 0.9500 . ?
C45 C55 1.384(4) . ?
C45 H45 0.9500 . ?
C55 C65 1.386(4) . ?
C55 H55 0.9500 . ?
C65 H65 0.9500 . ?
C16 N26 1.334(4) . ?
C16 C66 1.383(4) . ?
N26 C36 1.358(4) . ?
C36 C46 1.376(5) . ?
C36 H36 0.9500 . ?
C46 C56 1.377(5) . ?
C46 H46 0.9500 . ?
C56 C66 1.385(4) . ?
C56 H56 0.9500 . ?
C66 H66 0.9500 . ?
C17 N27 1.328(4) . ?
C17 C67 1.389(4) . ?
N27 C37 1.348(3) . ?
C37 C47 1.373(5) . ?
C37 H37 0.9500 . ?
C47 C57 1.401(5) . ?
C47 H47 0.9500 . ?
C57 C67 1.382(4) . ?
C57 H57 0.9500 . ?
C67 H67 0.9500 . ?
C18 N28 1.317(4) . ?
C18 C68 1.391(4) . ?
N28 C38 1.358(4) . ?
C38 C48 1.377(6) . ?
C38 H38 0.9500 . ?
C48 C58 1.373(7) . ?
C48 H48 0.9500 . ?
C58 C68 1.387(5) . ?
C58 H58 0.9500 . ?
C68 H68 0.9500 . ?
C19 N29 1.340(3) . ?
C19 C69 1.386(4) . ?
N29 C39 1.347(4) . ?
C39 C49 1.374(4) . ?
C39 H39 0.9500 . ?
C49 C59 1.386(4) . ?
C49 H49 0.9500 . ?
C59 C69 1.377(4) . ?
C59 H59 0.9500 . ?
C69 H69 0.9500 . ?
C110 N210 1.343(3) . ?
C110 C610 1.393(4) . ?
N210 C310 1.355(3) . ?
C310 C410 1.372(4) . ?
C310 H310 0.9500 . ?
C410 C510 1.393(4) . ?
C410 H410 0.9500 . ?
C510 C610 1.383(4) . ?
C510 H510 0.9500 . ?
C610 H610 0.9500 . ?
O111 C211 1.412(5) . ?
O111 C511 1.455(5) . ?
C211 C311 1.499(6) . ?
C211 H21A 0.9900 . ?
C211 H21B 0.9900 . ?
C311 C411 1.497(6) . ?
C311 H31A 0.9900 . ?
C311 H31B 0.9900 . ?
C411 C511 1.525(6) . ?
C411 H41A 0.9900 . ?
C411 H41B 0.9900 . ?
C511 H51A 0.9900 . ?
C511 H51B 0.9900 . ?
O112 C212 1.408(4) . ?
O112 H1O 0.8517 . ?
C212 H1M 0.9773 . ?
C212 H2M 0.9817 . ?
C212 H3M 0.9821 . ?
O113 C213 1.429(4) . ?
O113 H2O 1.0088 . ?
C213 H4M 0.9858 . ?
C213 H5M 0.9761 . ?
C213 H6M 0.9798 . ?
O114 C214 1.395(6) . ?
O114 H3O 0.8455 . ?
C214 H7M 0.9675 . ?
C214 H8M 0.9688 . ?
C214 H9M 1.0055 . ?
O115 C215 1.440(7) . ?
O115 H4O 0.8487 . ?
C215 H10M 1.0228 . ?
C215 H11M 1.0131 . ?
C215 H12M 0.9457 . ?
O116 C216 1.451(8) . ?
O116 H5O 0.8715 . ?
C216 H13M 0.9692 . ?
C216 H14M 0.9751 . ?
C216 H15M 0.9758 . ?
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
_geom_torsion_publ_flag
N24 Cu1 Cl1 Cu1 -97.29(6) . . . 2_667 ?
Cl2 Cu1 Cl1 Cu1 105.88(3) . . . 2_667 ?
Cl1 Cu1 Cl1 Cu1 0.0 2_667 . . 2_667 ?
N210 Cu3 Cl4 Cu3 -95.65(6) . . . 2 ?
Cl5 Cu3 Cl4 Cu3 109.74(3) . . . 2 ?
Cl4 Cu3 Cl4 Cu3 0.0 2 . . 2 ?
C11 N1 C1 C2 -80.3(3) . . . . ?
C12 N2 C2 C1 -113.3(3) . . . . ?
N1 C1 C2 N2 156.2(2) . . . . ?
C1 N1 C11 N21 176.3(2) . . . . ?
C1 N1 C11 N61 -4.1(4) . . . . ?
N1 C11 N21 C31 -174.9(2) . . . . ?
N61 C11 N21 C31 5.6(4) . . . . ?
C11 N21 C31 N41 -2.5(4) . . . . ?
C11 N21 C31 N3 174.8(2) . . . . ?
C13 N3 C31 N21 13.3(3) . . . . ?
C14 N3 C31 N21 -172.2(2) . . . . ?
C13 N3 C31 N41 -169.1(2) . . . . ?
C14 N3 C31 N41 5.4(3) . . . . ?
N21 C31 N41 C51 -2.8(4) . . . . ?
N3 C31 N41 C51 179.9(2) . . . . ?
C31 N41 C51 N61 6.2(4) . . . . ?
C31 N41 C51 N4 -174.8(2) . . . . ?
C15 N4 C51 N61 7.6(4) . . . . ?
C16 N4 C51 N61 -165.0(2) . . . . ?
C15 N4 C51 N41 -171.5(2) . . . . ?
C16 N4 C51 N41 15.8(3) . . . . ?
N41 C51 N61 C11 -3.5(4) . . . . ?
N4 C51 N61 C11 177.4(2) . . . . ?
N1 C11 N61 C51 177.6(2) . . . . ?
N21 C11 N61 C51 -2.9(4) . . . . ?
C2 N2 C12 N22 -7.3(4) . . . . ?
C2 N2 C12 N62 174.0(2) . . . . ?
N2 C12 N22 C32 -179.8(2) . . . . ?
N62 C12 N22 C32 -1.2(4) . . . . ?
C12 N22 C32 N42 0.5(4) . . . . ?
C12 N22 C32 N5 -177.4(2) . . . . ?
C18 N5 C32 N22 178.5(2) . . . . ?
C17 N5 C32 N22 -6.4(4) . . . . ?
C18 N5 C32 N42 0.4(4) . . . . ?
C17 N5 C32 N42 175.5(2) . . . . ?
N22 C32 N42 C52 0.8(4) . . . . ?
N5 C32 N42 C52 178.7(2) . . . . ?
C32 N42 C52 N62 -1.8(4) . . . . ?
C32 N42 C52 N6 -179.1(2) . . . . ?
C19 N6 C52 N62 -0.2(3) . . . . ?
C110 N6 C52 N62 172.2(2) . . . . ?
C19 N6 C52 N42 177.4(2) . . . . ?
C110 N6 C52 N42 -10.2(3) . . . . ?
N42 C52 N62 C12 1.2(4) . . . . ?
N6 C52 N62 C12 178.6(2) . . . . ?
N2 C12 N62 C52 179.0(2) . . . . ?
N22 C12 N62 C52 0.4(4) . . . . ?
C31 N3 C13 N23 -130.7(2) . . . . ?
C14 N3 C13 N23 54.7(3) . . . . ?
C31 N3 C13 C63 52.5(3) . . . . ?
C14 N3 C13 C63 -122.1(3) . . . . ?
C63 C13 N23 C33 -1.2(4) . . . . ?
N3 C13 N23 C33 -177.9(2) . . . . ?
C63 C13 N23 Cu1 -174.6(2) . . . . ?
N3 C13 N23 Cu1 8.7(3) . . . . ?
N24 Cu1 N23 C13 -44.6(2) . . . . ?
Cl2 Cu1 N23 C13 112.2(2) . . . . ?
Cl1 Cu1 N23 C13 -141.9(2) 2_667 . . . ?
N24 Cu1 N23 C33 142.2(2) . . . . ?
Cl2 Cu1 N23 C33 -61.0(2) . . . . ?
Cl1 Cu1 N23 C33 44.9(2) 2_667 . . . ?
C13 N23 C33 C43 0.3(5) . . . . ?
Cu1 N23 C33 C43 173.5(3) . . . . ?
N23 C33 C43 C53 0.7(5) . . . . ?
C33 C43 C53 C63 -0.8(5) . . . . ?
C43 C53 C63 C13 0.0(5) . . . . ?
N23 C13 C63 C53 1.0(4) . . . . ?
N3 C13 C63 C53 177.6(3) . . . . ?
C31 N3 C14 N24 122.5(2) . . . . ?
C13 N3 C14 N24 -62.8(3) . . . . ?
C31 N3 C14 C64 -58.8(3) . . . . ?
C13 N3 C14 C64 115.9(3) . . . . ?
C64 C14 N24 C34 1.6(4) . . . . ?
N3 C14 N24 C34 -179.7(2) . . . . ?
C64 C14 N24 Cu1 -174.19(19) . . . . ?
N3 C14 N24 Cu1 4.5(3) . . . . ?
N23 Cu1 N24 C14 37.08(19) . . . . ?
Cl2 Cu1 N24 C14 -39.9(3) . . . . ?
Cl1 Cu1 N24 C14 -143.80(18) . . . . ?
Cl1 Cu1 N24 C14 129.77(17) 2_667 . . . ?
N23 Cu1 N24 C34 -138.5(2) . . . . ?
Cl2 Cu1 N24 C34 144.54(17) . . . . ?
Cl1 Cu1 N24 C34 40.61(19) . . . . ?
Cl1 Cu1 N24 C34 -45.8(2) 2_667 . . . ?
C14 N24 C34 C44 1.0(4) . . . . ?
Cu1 N24 C34 C44 176.7(2) . . . . ?
N24 C34 C44 C54 -2.2(4) . . . . ?
C34 C44 C54 C64 0.9(4) . . . . ?
N24 C14 C64 C54 -2.8(4) . . . . ?
N3 C14 C64 C54 178.6(2) . . . . ?
C44 C54 C64 C14 1.5(4) . . . . ?
C51 N4 C15 N25 136.8(3) . . . . ?
C16 N4 C15 N25 -50.6(3) . . . . ?
C51 N4 C15 C65 -46.4(4) . . . . ?
C16 N4 C15 C65 126.2(3) . . . . ?
C65 C15 N25 C35 -4.1(4) . . . . ?
N4 C15 N25 C35 172.7(2) . . . . ?
C65 C15 N25 Cu2 169.3(2) . . . . ?
N4 C15 N25 Cu2 -13.9(3) . . . . ?
N26 Cu2 N25 C15 48.4(2) . . . . ?
N28 Cu2 N25 C15 -141.7(2) . . . . ?
N27 Cu2 N25 C15 -53.7(2) . . . . ?
N26 Cu2 N25 C35 -138.5(2) . . . . ?
N28 Cu2 N25 C35 31.4(2) . . . . ?
N27 Cu2 N25 C35 119.4(2) . . . . ?
C15 N25 C35 C45 3.7(4) . . . . ?
Cu2 N25 C35 C45 -169.5(2) . . . . ?
N25 C35 C45 C55 -0.9(4) . . . . ?
C35 C45 C55 C65 -1.6(4) . . . . ?
C45 C55 C65 C15 1.2(4) . . . . ?
N25 C15 C65 C55 1.7(4) . . . . ?
N4 C15 C65 C55 -174.9(3) . . . . ?
C51 N4 C16 N26 -121.4(3) . . . . ?
C15 N4 C16 N26 65.3(3) . . . . ?
C51 N4 C16 C66 59.7(3) . . . . ?
C15 N4 C16 C66 -113.6(3) . . . . ?
C66 C16 N26 C36 -2.0(4) . . . . ?
N4 C16 N26 C36 179.1(2) . . . . ?
C66 C16 N26 Cu2 170.8(2) . . . . ?
N4 C16 N26 Cu2 -8.1(3) . . . . ?
N28 Cu2 N26 C16 -108.6(5) . . . . ?
N25 Cu2 N26 C16 -35.6(2) . . . . ?
N27 Cu2 N26 C16 60.0(2) . . . . ?
Cl3 Cu2 N26 C16 152.6(2) . . . . ?
N28 Cu2 N26 C36 63.8(6) . . . . ?
N25 Cu2 N26 C36 136.8(2) . . . . ?
N27 Cu2 N26 C36 -127.6(2) . . . . ?
Cl3 Cu2 N26 C36 -35.0(2) . . . . ?
C16 N26 C36 C46 -0.5(4) . . . . ?
Cu2 N26 C36 C46 -173.0(2) . . . . ?
N26 C36 C46 C56 2.4(5) . . . . ?
C36 C46 C56 C66 -2.0(5) . . . . ?
N26 C16 C66 C56 2.3(4) . . . . ?
N4 C16 C66 C56 -178.8(2) . . . . ?
C46 C56 C66 C16 -0.3(4) . . . . ?
C32 N5 C17 N27 116.8(3) . . . . ?
C18 N5 C17 N27 -68.0(3) . . . . ?
C32 N5 C17 C67 -66.3(4) . . . . ?
C18 N5 C17 C67 108.9(3) . . . . ?
C67 C17 N27 C37 -0.2(4) . . . . ?
N5 C17 N27 C37 176.6(2) . . . . ?
C67 C17 N27 Cu2 -163.5(2) . . . . ?
N5 C17 N27 Cu2 13.3(3) . . . . ?
N26 Cu2 N27 C17 -152.9(2) . . . . ?
N28 Cu2 N27 C17 25.1(2) . . . . ?
N25 Cu2 N27 C17 -65.1(2) . . . . ?
Cl3 Cu2 N27 C17 115.52(19) . . . . ?
N26 Cu2 N27 C37 44.7(2) . . . . ?
N28 Cu2 N27 C37 -137.4(2) . . . . ?
N25 Cu2 N27 C37 132.4(2) . . . . ?
Cl3 Cu2 N27 C37 -46.9(2) . . . . ?
C17 N27 C37 C47 0.9(4) . . . . ?
Cu2 N27 C37 C47 163.3(2) . . . . ?
N27 C37 C47 C57 -1.0(5) . . . . ?
C37 C47 C57 C67 0.5(5) . . . . ?
C47 C57 C67 C17 0.1(5) . . . . ?
N27 C17 C67 C57 -0.3(5) . . . . ?
N5 C17 C67 C57 -177.0(3) . . . . ?
C32 N5 C18 N28 -120.3(3) . . . . ?
C17 N5 C18 N28 64.4(3) . . . . ?
C32 N5 C18 C68 60.5(4) . . . . ?
C17 N5 C18 C68 -114.8(3) . . . . ?
C68 C18 N28 C38 -1.0(4) . . . . ?
N5 C18 N28 C38 179.8(3) . . . . ?
C68 C18 N28 Cu2 174.7(2) . . . . ?
N5 C18 N28 Cu2 -4.5(4) . . . . ?
N26 Cu2 N28 C18 139.0(5) . . . . ?
N25 Cu2 N28 C18 66.3(2) . . . . ?
N27 Cu2 N28 C18 -29.9(2) . . . . ?
Cl3 Cu2 N28 C18 -122.2(2) . . . . ?
N26 Cu2 N28 C38 -45.3(6) . . . . ?
N25 Cu2 N28 C38 -118.0(2) . . . . ?
N27 Cu2 N28 C38 145.8(2) . . . . ?
Cl3 Cu2 N28 C38 53.5(2) . . . . ?
C18 N28 C38 C48 -1.0(5) . . . . ?
Cu2 N28 C38 C48 -176.9(3) . . . . ?
N28 C38 C48 C58 1.7(6) . . . . ?
C38 C48 C58 C68 -0.4(6) . . . . ?
C48 C58 C68 C18 -1.4(5) . . . . ?
N28 C18 C68 C58 2.2(5) . . . . ?
N5 C18 C68 C58 -178.7(3) . . . . ?
C52 N6 C19 N29 -127.1(2) . . . . ?
C110 N6 C19 N29 60.4(3) . . . . ?
C52 N6 C19 C69 53.0(3) . . . . ?
C110 N6 C19 C69 -119.6(3) . . . . ?
C69 C19 N29 C39 -2.0(4) . . . . ?
N6 C19 N29 C39 178.0(2) . . . . ?
C69 C19 N29 Cu3 178.73(19) . . . . ?
N6 C19 N29 Cu3 -1.2(3) . . . . ?
N210 Cu3 N29 C19 -40.30(19) . . . . ?
Cl5 Cu3 N29 C19 114.27(19) . . . . ?
Cl4 Cu3 N29 C19 -135.80(19) 2 . . . ?
N210 Cu3 N29 C39 140.5(2) . . . . ?
Cl5 Cu3 N29 C39 -64.9(2) . . . . ?
Cl4 Cu3 N29 C39 45.0(2) 2 . . . ?
C19 N29 C39 C49 -1.9(4) . . . . ?
Cu3 N29 C39 C49 177.3(2) . . . . ?
N29 C39 C49 C59 3.6(4) . . . . ?
C39 C49 C59 C69 -1.2(4) . . . . ?
C49 C59 C69 C19 -2.5(4) . . . . ?
N29 C19 C69 C59 4.2(4) . . . . ?
N6 C19 C69 C59 -175.8(2) . . . . ?
C52 N6 C110 N210 134.7(2) . . . . ?
C19 N6 C110 N210 -52.8(3) . . . . ?
C52 N6 C110 C610 -49.1(3) . . . . ?
C19 N6 C110 C610 123.4(3) . . . . ?
C610 C110 N210 C310 -3.6(4) . . . . ?
N6 C110 N210 C310 172.6(2) . . . . ?
C610 C110 N210 Cu3 173.07(19) . . . . ?
N6 C110 N210 Cu3 -10.8(3) . . . . ?
N29 Cu3 N210 C110 46.80(19) . . . . ?
Cl5 Cu3 N210 C110 -32.6(3) . . . . ?
Cl4 Cu3 N210 C110 -134.17(18) . . . . ?
Cl4 Cu3 N210 C110 140.71(18) 2 . . . ?
N29 Cu3 N210 C310 -136.7(2) . . . . ?
Cl5 Cu3 N210 C310 143.84(17) . . . . ?
Cl4 Cu3 N210 C310 42.3(2) . . . . ?
Cl4 Cu3 N210 C310 -42.8(2) 2 . . . ?
C110 N210 C310 C410 2.4(4) . . . . ?
Cu3 N210 C310 C410 -174.1(2) . . . . ?
N210 C310 C410 C510 0.4(4) . . . . ?
C310 C410 C510 C610 -2.1(4) . . . . ?
C410 C510 C610 C110 1.0(4) . . . . ?
N210 C110 C610 C510 1.9(4) . . . . ?
N6 C110 C610 C510 -174.0(2) . . . . ?
C511 O111 C211 C311 16.4(5) . . . . ?
O111 C211 C311 C411 -35.3(5) . . . . ?
C211 C311 C411 C511 39.3(5) . . . . ?
C211 O111 C511 C411 9.1(5) . . . . ?
C311 C411 C511 O111 -30.8(5) . . . . ?
