# Copyright The Royal Society of Chemistry, 1998

data_1
 
_publ_contact_author               'Igor O.Fritsky'
_publ_contact_author_email         'aldona@wchuwr.chem.uni.wroc.pl'

loop_
_publ_author_name
;
I.O.Fritsky, A.Karaczyn, H.Kozlowski, T.Glowiak, E.V.Prisyazhnaya, 
V.A.Kalibabchuk
;
_journal_name_full                 'J.Chem.Soc., Dalton Trans.'


_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
bis{[N,N'-bis(2-hydroxyiminopropionyl)-1,4-diaminobutane (1-)] 
[aqua] copper(II)} diperchlorate  dihydrate
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C10 H21 Cl Cu N4 O10' 
_chemical_formula_weight          456.30 
_chemical_melting_point           ? 
_chemical_compound_source         ? 
 
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' 
 
_symmetry_cell_setting            triclinic 
_symmetry_space_group_name_H-M    P-1 

loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, -z' 
 
_cell_length_a                    8.734(2) 
_cell_length_b                    9.497(2) 
_cell_length_c                    11.988(2) 
_cell_angle_alpha                 103.20(3) 
_cell_angle_beta                  90.87(3) 
_cell_angle_gamma                 107.56(3) 
_cell_volume                      919.2(3) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     50 
_cell_measurement_theta_min       22.0 
_cell_measurement_theta_max       42.0 
 
_exptl_crystal_description        BLOCK
_exptl_crystal_colour             'dark green' 
_exptl_crystal_size_max           0.25 
_exptl_crystal_size_mid            0.25 
_exptl_crystal_size_min            0.25 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.649 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              470 
_exptl_absorpt_coefficient_mu     1.390 
_exptl_absorpt_correction_type     none 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      0.71069 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device         'Kuma KM4 automatic diffractometer' 
_diffrn_measurement_method        'profile data from omega/2theta scans' 
_diffrn_standards_number           3 
_diffrn_standards_interval_count  100 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             4200 
_diffrn_reflns_av_R_equivalents   0.0000 
_diffrn_reflns_av_sigmaI/netI     0.0315 
_diffrn_reflns_limit_h_min        -11 
_diffrn_reflns_limit_h_max        11 
_diffrn_reflns_limit_k_min        -13 
_diffrn_reflns_limit_k_max        12 
_diffrn_reflns_limit_l_min        0 
_diffrn_reflns_limit_l_max        16 
_diffrn_reflns_theta_min          2.32 
_diffrn_reflns_theta_max          30.05 
_reflns_number_total              4200 
_reflns_number_observed           3162 
_reflns_observed_criterion        >2sigma(I) 
 
_computing_data_collection        'Kuma KM4 software 1996' 
_computing_cell_refinement        'Kuma KM4 software 1996' 
_computing_data_reduction          'Kuma KM4 software 1996'  
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics       ? 
_computing_publication_material   'ORTEP, 1964' 

_refine_special_details 
; 
 Refinement on F^2^ for ALL reflections except for 0 with very negative F^2^ 
 or flagged by the user for potential systematic errors.  Weighted R-factors 
 wR and all goodnesses of fit S are based on F^2^, conventional R-factors R 
 are based on F, with F set to zero for negative F^2^. The observed criterion 
 of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F^2^ are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme 
 'calc w=1/[\s^2^(Fo^2^)+(0.0938P)^2^+0.1834P] where P=(Fo^2^+2Fc^2^)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment      'see experimental' 
_refine_ls_extinction_method      SHELXL 
_refine_ls_extinction_coef        0.0138(25) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' 
_refine_ls_number_reflns          4200 
_refine_ls_number_parameters      238 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0586 
_refine_ls_R_factor_obs           0.0436 
_refine_ls_wR_factor_all          0.1393 
_refine_ls_wR_factor_obs          0.1294 
_refine_ls_goodness_of_fit_all    1.068 
_refine_ls_goodness_of_fit_obs    1.152 
_refine_ls_restrained_S_all       1.068 
_refine_ls_restrained_S_obs       1.152 
_refine_ls_shift/esd_max          0.175 
_refine_ls_shift/esd_mean         0.012 
 
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_thermal_displace_type 
 _atom_site_occupancy 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_group 
Cu Cu 0.17507(4) 0.19912(4) -0.00482(3) 0.03998(15) Uani 1 d . . 
Cl Cl 0.28968(10) 0.25685(10) 0.57735(7) 0.0557(2) Uani 1 d . . 
O1 O 0.4681(3) 0.1367(3) 0.0403(2) 0.0510(5) Uani 1 d . . 
O2 O 0.1440(3) 0.3259(2) 0.1422(2) 0.0461(5) Uani 1 d . . 
O3 O 0.0414(3) 0.8567(3) 0.0862(2) 0.0544(6) Uani 1 d . . 
O4 O -0.3196(3) 1.0105(3) 0.1492(2) 0.0519(5) Uani 1 d . . 
O5 O 0.2809(5) 0.3884(3) -0.0841(3) 0.0870(10) Uani 1 d . . 
O6 O -0.1973(4) 0.3573(4) 0.0710(3) 0.0956(11) Uani 1 d . . 
O7 O 0.1562(6) 0.2988(10) 0.5922(7) 0.242(4) Uani 1 d . . 
O8 O 0.3571(5) 0.2600(4) 0.6852(3) 0.1034(12) Uani 1 d . . 
O9 O 0.2575(6) 0.1150(4) 0.5007(3) 0.126(2) Uani 1 d . . 
O10 O 0.4034(5) 0.3653(4) 0.5339(3) 0.1115(13) Uani 1 d . . 
N1 N 0.3666(3) 0.2097(3) 0.0841(2) 0.0395(5) Uani 1 d . . 
N2 N 0.2740(3) 0.4557(3) 0.3151(2) 0.0451(6) Uani 1 d . . 
H6 H 0.3569(3) 0.4728(3) 0.3619(2) 0.054 Uiso 1 calc R . 
N3 N 0.1693(3) 0.9639(3) 0.2623(2) 0.0440(5) Uani 1 d . . 
H7 H 0.1721(3) 1.0221(3) 0.3293(2) 0.053 Uiso 1 calc R . 
N4 N -0.1924(3) 0.9586(3) 0.1368(2) 0.0395(5) Uani 1 d . . 
C1 C 0.5317(4) 0.3096(4) 0.2687(3) 0.0507(7) Uani 1 d . . 
H3A H 0.4959(7) 0.3042(31) 0.3433(6) 0.076 Uiso 1 calc R . 
H3B H 0.6115(15) 0.4065(14) 0.2739(18) 0.076 Uiso 1 calc R . 
H3C H 0.5777(21) 0.2297(19) 0.2408(13) 0.076 Uiso 1 calc R . 
C2 C 0.3923(4) 0.2917(3) 0.1880(2) 0.0383(6) Uani 1 d . . 
C3 C 0.2619(3) 0.3613(3) 0.2148(2) 0.0374(5) Uani 1 d . . 
C4 C 0.1564(4) 0.5348(4) 0.3539(3) 0.0514(7) Uani 1 d . . 
H4A H 0.1301(4) 0.5233(4) 0.4303(3) 0.062 Uiso 1 calc R . 
H4B H 0.0582(4) 0.4880(4) 0.3026(3) 0.062 Uiso 1 calc R . 
C5 C 0.2194(4) 0.7015(4) 0.3565(3) 0.0498(7) Uani 1 d . . 
H5A H 0.3190(4) 0.7475(4) 0.4064(3) 0.060 Uiso 1 calc R . 
H5B H 0.1419(4) 0.7505(4) 0.3889(3) 0.060 Uiso 1 calc R . 
C6 C 0.2504(4) 0.7301(4) 0.2385(3) 0.0512(7) Uani 1 d . . 
H6A H 0.3345(4) 0.6883(4) 0.2092(3) 0.061 Uiso 1 calc R . 
H6B H 0.1532(4) 0.6759(4) 0.1871(3) 0.061 Uiso 1 calc R . 
C7 C 0.2998(4) 0.8960(4) 0.2366(3) 0.0511(7) Uani 1 d . . 
H7A H 0.3917(4) 0.9520(4) 0.2926(3) 0.061 Uiso 1 calc R . 
H7B H 0.3333(4) 0.9059(4) 0.1613(3) 0.061 Uiso 1 calc R . 
C8 C 0.0501(3) 0.9381(3) 0.1862(2) 0.0400(6) Uani 1 d . . 
C9 C -0.0798(4) 1.0085(3) 0.2180(2) 0.0393(6) Uani 1 d . . 
C10 C -0.0811(4) 1.1198(4) 0.3272(3) 0.0537(8) Uani 1 d . . 
H10A H -0.1490(27) 1.0683(6) 0.3773(10) 0.080 Uiso 1 calc R . 
H10B H -0.1218(31) 1.1970(17) 0.3109(4) 0.080 Uiso 1 calc R . 
H10C H 0.0266(7) 1.1661(23) 0.3638(12) 0.080 Uiso 1 calc R . 
H1 H -0.3747 0.9598 0.0772 0.050 Uiso 1 d . . 
H2 H -0.2871 0.2621 0.0585 0.050 Uiso 1 d . . 
H3 H -0.1845 0.3389 0.1379 0.050 Uiso 1 d . . 
H4 H 0.2569 0.4744 -0.0786 0.050 Uiso 1 d . . 
H5 H 0.3075 0.3421 -0.1631 0.050 Uiso 1 d . . 
 
loop_ 
 _atom_site_aniso_label 
 _atom_site_aniso_U_11 
 _atom_site_aniso_U_22 
 _atom_site_aniso_U_33 
 _atom_site_aniso_U_23 
 _atom_site_aniso_U_13 
 _atom_site_aniso_U_12 
Cu 0.0471(2) 0.0464(2) 0.0321(2) 0.00291(13) 0.00541(13) 0.0277(2) 
Cl 0.0544(5) 0.0590(5) 0.0401(4) 0.0025(3) 0.0007(3) 0.0053(3) 
O1 0.0546(12) 0.0580(12) 0.0467(11) -0.0049(9) 0.0003(10) 0.0400(10) 
O2 0.0500(11) 0.0548(12) 0.0363(10) -0.0005(9) 0.0071(9) 0.0289(9) 
O3 0.0545(13) 0.076(2) 0.0374(11) -0.0010(10) 0.0043(9) 0.0383(12) 
O4 0.0576(13) 0.0583(13) 0.0463(11) -0.0035(10) 0.0013(10) 0.0400(11) 
O5 0.149(3) 0.065(2) 0.074(2) 0.0344(15) 0.049(2) 0.058(2) 
O6 0.114(3) 0.084(2) 0.115(3) 0.033(2) 0.049(2) 0.060(2) 
O7 0.097(4) 0.358(10) 0.223(7) -0.086(6) -0.012(4) 0.120(5) 
O8 0.143(3) 0.116(3) 0.044(2) 0.018(2) -0.003(2) 0.032(2) 
O9 0.211(5) 0.064(2) 0.064(2) -0.011(2) -0.020(3) 0.009(2) 
O10 0.148(3) 0.096(3) 0.062(2) 0.022(2) 0.005(2) -0.005(2) 
N1 0.0471(13) 0.0384(11) 0.0380(12) 0.0040(9) 0.0060(10) 0.0246(10) 
N2 0.0528(14) 0.0444(13) 0.0384(12) 0.0003(10) 0.0078(11) 0.0227(11) 
N3 0.0453(13) 0.0447(13) 0.0411(12) 0.0063(10) 0.0026(10) 0.0162(10) 
N4 0.0472(13) 0.0398(11) 0.0371(11) 0.0053(9) 0.0063(10) 0.0247(10) 
C1 0.056(2) 0.054(2) 0.0409(15) -0.0038(13) -0.0037(13) 0.0259(14) 
C2 0.0480(15) 0.0349(12) 0.0368(13) 0.0062(10) 0.0090(11) 0.0216(11) 
C3 0.0437(14) 0.0357(12) 0.0355(13) 0.0074(10) 0.0093(11) 0.0169(11) 
C4 0.057(2) 0.052(2) 0.047(2) 0.0040(13) 0.0209(14) 0.0250(14) 
C5 0.053(2) 0.052(2) 0.045(2) -0.0016(13) 0.0070(13) 0.0263(14) 
C6 0.055(2) 0.057(2) 0.046(2) 0.0045(13) 0.0035(14) 0.0301(15) 
C7 0.0394(15) 0.059(2) 0.057(2) 0.0141(15) 0.0045(13) 0.0177(13) 
C8 0.0422(14) 0.0427(14) 0.0368(13) 0.0087(11) 0.0051(11) 0.0164(11) 
C9 0.049(2) 0.0361(13) 0.0365(13) 0.0079(10) 0.0058(11) 0.0190(11) 
C10 0.066(2) 0.048(2) 0.043(2) -0.0035(13) 0.0052(14) 0.0233(15) 
 
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
 
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 
Cu N1 1.934(2) . ? 
Cu N4 1.957(2) 2_565 ? 
Cu O2 1.968(2) . ? 
Cu O3 1.977(2) 2_565 ? 
Cu O5 2.189(3) . ? 
Cl O7 1.343(5) . ? 
Cl O9 1.391(3) . ? 
Cl O10 1.400(4) . ? 
Cl O8 1.403(3) . ? 
O1 N1 1.327(3) . ? 
O2 C3 1.249(4) . ? 
O3 C8 1.257(4) . ? 
O3 Cu 1.977(2) 2_565 ? 
O4 N4 1.343(3) . ? 
O4 H1 0.930(2) . ? 
O5 H4 0.891(3) . ? 
O5 H5 1.011(3) . ? 
O6 H2 0.981(4) . ? 
O6 H3 0.871(4) . ? 
N1 C2 1.285(4) . ? 
N2 C3 1.307(3) . ? 
N2 C4 1.468(4) . ? 
N2 H6 0.86 . ? 
N3 C8 1.300(4) . ? 
N3 C7 1.475(4) . ? 
N3 H7 0.86 . ? 
N4 C9 1.272(4) . ? 
N4 Cu 1.957(2) 2_565 ? 
C1 C2 1.487(4) . ? 
C1 H3A 0.96 . ? 
C1 H3B 0.96 . ? 
C1 H3C 0.96 . ? 
C2 C3 1.486(4) . ? 
C4 C5 1.504(5) . ? 
C4 H4A 0.97 . ? 
C4 H4B 0.97 . ? 
C5 C6 1.514(5) . ? 
C5 H5A 0.97 . ? 
C5 H5B 0.97 . ? 
C6 C7 1.508(5) . ? 
C6 H6A 0.97 . ? 
C6 H6B 0.97 . ? 
C7 H7A 0.97 . ? 
C7 H7B 0.97 . ? 
C8 C9 1.495(4) . ? 
C9 C10 1.485(4) . ? 
C10 H10A 0.96 . ? 
C10 H10B 0.96 . ? 
C10 H10C 0.96 . ? 
 
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 
N1 Cu N4 95.98(10) . 2_565 ? 
N1 Cu O2 81.35(9) . . ? 
N4 Cu O2 169.19(10) 2_565 . ? 
N1 Cu O3 166.88(10) . 2_565 ? 
N4 Cu O3 80.30(10) 2_565 2_565 ? 
O2 Cu O3 99.94(9) . 2_565 ? 
N1 Cu O5 98.52(13) . . ? 
N4 Cu O5 94.88(11) 2_565 . ? 
O2 Cu O5 95.87(11) . . ? 
O3 Cu O5 94.35(13) 2_565 . ? 
O7 Cl O9 111.7(4) . . ? 
O7 Cl O10 108.7(5) . . ? 
O9 Cl O10 108.8(3) . . ? 
O7 Cl O8 108.6(4) . . ? 
O9 Cl O8 112.1(3) . . ? 
O10 Cl O8 106.7(2) . . ? 
C3 O2 Cu 111.8(2) . . ? 
C8 O3 Cu 111.7(2) . 2_565 ? 
N4 O4 H1 98.2(2) . . ? 
Cu O5 H4 129.6(3) . . ? 
Cu O5 H5 106.6(2) . . ? 
H4 O5 H5 114.6(3) . . ? 
H2 O6 H3 82.7(3) . . ? 
C2 N1 O1 121.1(2) . . ? 
C2 N1 Cu 117.0(2) . . ? 
O1 N1 Cu 121.9(2) . . ? 
C3 N2 C4 124.7(3) . . ? 
C3 N2 H6 117.6(2) . . ? 
C4 N2 H6 117.6(2) . . ? 
C8 N3 C7 121.6(3) . . ? 
C8 N3 H7 119.2(2) . . ? 
C7 N3 H7 119.2(2) . . ? 
C9 N4 O4 118.4(2) . . ? 
C9 N4 Cu 117.6(2) . 2_565 ? 
O4 N4 Cu 123.9(2) . 2_565 ? 
C2 C1 H3A 109.5(2) . . ? 
C2 C1 H3B 109.5(2) . . ? 
H3A C1 H3B 109.5 . . ? 
C2 C1 H3C 109.5(2) . . ? 
H3A C1 H3C 109.5 . . ? 
H3B C1 H3C 109.5 . . ? 
N1 C2 C3 110.1(2) . . ? 
N1 C2 C1 123.9(2) . . ? 
C3 C2 C1 125.9(2) . . ? 
O2 C3 N2 122.5(3) . . ? 
O2 C3 C2 119.3(2) . . ? 
N2 C3 C2 118.2(3) . . ? 
N2 C4 C5 112.0(3) . . ? 
N2 C4 H4A 109.2(2) . . ? 
C5 C4 H4A 109.2(2) . . ? 
N2 C4 H4B 109.2(2) . . ? 
C5 C4 H4B 109.2(2) . . ? 
H4A C4 H4B 107.9 . . ? 
C4 C5 C6 112.7(3) . . ? 
C4 C5 H5A 109.1(2) . . ? 
C6 C5 H5A 109.0(2) . . ? 
C4 C5 H5B 109.0(2) . . ? 
C6 C5 H5B 109.0(2) . . ? 
H5A C5 H5B 107.8 . . ? 
C7 C6 C5 114.1(3) . . ? 
C7 C6 H6A 108.7(2) . . ? 
C5 C6 H6A 108.7(2) . . ? 
C7 C6 H6B 108.7(2) . . ? 
C5 C6 H6B 108.7(2) . . ? 
H6A C6 H6B 107.6 . . ? 
N3 C7 C6 112.9(3) . . ? 
N3 C7 H7A 109.0(2) . . ? 
C6 C7 H7A 109.0(2) . . ? 
N3 C7 H7B 109.0(2) . . ? 
C6 C7 H7B 109.0(2) . . ? 
H7A C7 H7B 107.8 . . ? 
O3 C8 N3 122.0(3) . . ? 
O3 C8 C9 118.9(3) . . ? 
N3 C8 C9 119.1(3) . . ? 
N4 C9 C10 124.0(3) . . ? 
N4 C9 C8 109.7(2) . . ? 
C10 C9 C8 126.3(3) . . ? 
C9 C10 H10A 109.5(2) . . ? 
C9 C10 H10B 109.5(2) . . ? 
H10A C10 H10B 109.5 . . ? 
C9 C10 H10C 109.5(2) . . ? 
H10A C10 H10C 109.5 . . ? 
H10B C10 H10C 109.5 . . ? 
 
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 
 N1 Cu O2 C3 5.5(2) . . . . ? 
 N4 Cu O2 C3 81.9(5) 2_565 . . . ? 
 O3 Cu O2 C3 172.2(2) 2_565 . . . ? 
 O5 Cu O2 C3 -92.3(2) . . . . ? 
 N4 Cu N1 C2 -172.2(2) 2_565 . . . ? 
 O2 Cu N1 C2 -2.8(2) . . . . ? 
 O3 Cu N1 C2 -99.4(4) 2_565 . . . ? 
 O5 Cu N1 C2 91.9(2) . . . . ? 
 N4 Cu N1 O1 8.1(2) 2_565 . . . ? 
 O2 Cu N1 O1 177.6(2) . . . . ? 
 O3 Cu N1 O1 80.9(4) 2_565 . . . ? 
 O5 Cu N1 O1 -87.7(2) . . . . ? 
 O1 N1 C2 C3 179.5(2) . . . . ? 
 Cu N1 C2 C3 -0.1(3) . . . . ? 
 O1 N1 C2 C1 -1.6(4) . . . . ? 
 Cu N1 C2 C1 178.7(2) . . . . ? 
 Cu O2 C3 N2 174.0(2) . . . . ? 
 Cu O2 C3 C2 -7.4(3) . . . . ? 
 C4 N2 C3 O2 -2.0(5) . . . . ? 
 C4 N2 C3 C2 179.3(3) . . . . ? 
 N1 C2 C3 O2 5.2(4) . . . . ? 
 C1 C2 C3 O2 -173.6(3) . . . . ? 
 N1 C2 C3 N2 -176.1(3) . . . . ? 
 C1 C2 C3 N2 5.1(4) . . . . ? 
 C3 N2 C4 C5 -107.3(3) . . . . ? 
 N2 C4 C5 C6 63.7(4) . . . . ? 
 C4 C5 C6 C7 175.0(3) . . . . ? 
 C8 N3 C7 C6 -76.6(4) . . . . ? 
 C5 C6 C7 N3 -67.4(4) . . . . ? 
 Cu O3 C8 N3 166.7(2) 2_565 . . . ? 
 Cu O3 C8 C9 -14.0(3) 2_565 . . . ? 
 C7 N3 C8 O3 -1.5(5) . . . . ? 
 C7 N3 C8 C9 179.1(3) . . . . ? 
 O4 N4 C9 C10 0.8(4) . . . . ? 
 Cu N4 C9 C10 -175.6(2) 2_565 . . . ? 
 O4 N4 C9 C8 -179.3(2) . . . . ? 
 Cu N4 C9 C8 4.4(3) 2_565 . . . ? 
 O3 C8 C9 N4 6.8(4) . . . . ? 
 N3 C8 C9 N4 -173.8(3) . . . . ? 
 O3 C8 C9 C10 -173.3(3) . . . . ? 
 N3 C8 C9 C10 6.1(5) . . . . ? 
 
_refine_diff_density_max    0.726 
_refine_diff_density_min   -0.634 
_refine_diff_density_rms    0.097