#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/60/4116051.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_4116051
loop_
_publ_author_name
'Hideki Ohtsu'
'Yuichi Shimazaki'
'Akira Odani'
'Osamu Yamauchi'
'Wasuke Mori'
'Shinobu Itoh'
'Shunichi Fukuzumi'
_publ_section_title
;
 Synthesis and Characterization of Imidazolate-Bridged Dinuclear Complexes
 as Active Site Models of Cu,Zn-SOD
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5733
_journal_page_last               5741
_journal_paper_doi               10.1021/ja994050j
_journal_volume                  122
_journal_year                    2000
_chemical_formula_sum            'C21 H25 Cl2 Cu N7 O8'
_chemical_formula_weight         637.92
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.57(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.861(5)
_cell_length_b                   10.784(5)
_cell_length_c                   35.597(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      13.9
_cell_volume                     5705(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR88
_diffrn_measured_fraction_theta_full 0.7676
_diffrn_measured_fraction_theta_max 0.7676
_diffrn_measurement_device_type  'Rigaku AFC5R'
_diffrn_measurement_method       ω-2θ
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.028
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            7925
_diffrn_reflns_theta_full        25.08
_diffrn_reflns_theta_max         25.08
_diffrn_standards_decay_%        0.64
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.008
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.969
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_density_diffrn    1.485
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.300
_refine_diff_density_max         1.40
_refine_diff_density_min         -1.77
_refine_ls_goodness_of_fit_ref   1.219
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     704
_refine_ls_number_reflns         2857
_refine_ls_R_factor_gt           0.0750
_refine_ls_shift/su_max          0.2925
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00616|Fo|²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1053
_reflns_number_gt                2857
_reflns_number_total             7786
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ja994050j_3.cif
_cod_data_source_block           '[Cu(MeIm(Py)2)(CH3CN)](ClO4)2_CH3CN'
_cod_original_cell_volume        5704(3)
_cod_original_formula_sum        'C21 H25 Cl2 Cu N7 O8 '
_cod_database_code               4116051
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2+x,1/2-y,1/2+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_calc_flag
Cu(1) Cu 0.8762(1) -0.3120(1) 0.33464(5) 0.0606(5) Uani 1.00 d
Cu(2) Cu 0.6242(1) 0.1563(2) 0.58411(4) 0.0597(5) Uani 1.00 d
Cl(1) Cl 0.8678(4) 0.1852(5) 0.9552(2) 0.112(2) Uani 1.00 d
Cl(2) Cl 1.1227(3) -0.2723(5) 0.5510(2) 0.097(2) Uani 1.00 d
Cl(3) Cl 1.1220(2) 0.2557(4) 0.2918(1) 0.068(1) Uani 1.00 d
Cl(4) Cl 0.3887(4) -0.2632(5) 0.6998(2) 0.103(2) Uani 1.00 d
O(1) O 0.922(2) 0.157(3) 0.9274(9) 0.36(2) Uani 1.00 d
O(2) O 0.900(2) 0.167(2) 0.9903(8) 0.34(2) Uani 1.00 d
O(3) O 0.849(2) 0.302(2) 0.9579(5) 0.27(1) Uani 1.00 d
O(4) O 0.806(1) 0.109(3) 0.9475(8) 0.32(2) Uani 1.00 d
O(5) O 1.146(1) -0.315(2) 0.5164(5) 0.216(10) Uani 1.00 d
O(6) O 1.198(1) -0.313(2) 0.5750(5) 0.183(8) Uani 1.00 d
O(7) O 1.116(1) -0.149(2) 0.5533(7) 0.213(9) Uani 1.00 d
O(8) O 1.0481(8) -0.332(1) 0.5647(5) 0.162(7) Uani 1.00 d
O(9) O 1.2032(8) 0.188(1) 0.2968(4) 0.132(5) Uani 1.00 d
O(10) O 1.101(1) 0.319(2) 0.3251(4) 0.182(8) Uani 1.00 d
O(11) O 1.1267(8) 0.3405(9) 0.2621(3) 0.100(4) Uani 1.00 d
O(12) O 1.0506(9) 0.172(1) 0.2839(4) 0.139(6) Uani 1.00 d
O(13) O 0.415(2) -0.371(2) 0.7173(6) 0.25(1) Uani 1.00 d
O(14) O 0.457(1) -0.189(2) 0.6961(7) 0.27(1) Uani 1.00 d
O(15) O 0.360(2) -0.286(3) 0.6655(6) 0.30(1) Uani 1.00 d
O(16) O 0.328(2) -0.217(3) 0.7206(8) 0.29(1) Uani 1.00 d
N(1) N 0.8774(8) -0.285(2) 0.4521(3) 0.087(5) Uani 1.00 d
N(2) N 0.8710(7) -0.295(1) 0.3909(3) 0.064(4) Uani 1.00 d
N(3) N 0.8817(7) -0.1240(9) 0.3377(3) 0.054(3) Uani 1.00 d
N(4) N 0.9966(7) -0.288(1) 0.3081(3) 0.059(4) Uani 1.00 d
N(5) N 0.7596(7) -0.279(1) 0.3039(3) 0.062(4) Uani 1.00 d
N(6) N 0.8725(7) -0.498(1) 0.3333(3) 0.071(4) Uani 1.00 d
N(7) N 0.6323(8) 0.450(1) 0.6607(4) 0.074(4) Uani 1.00 d
N(8) N 0.6219(7) 0.296(1) 0.6211(3) 0.061(4) Uani 1.00 d
N(9) N 0.6168(8) 0.049(1) 0.6307(3) 0.064(4) Uani 1.00 d
N(10) N 0.5100(6) 0.065(1) 0.5703(3) 0.060(4) Uani 1.00 d
N(11) N 0.7445(7) 0.063(1) 0.5777(4) 0.065(4) Uani 1.00 d
N(12) N 0.6303(9) 0.257(1) 0.5387(4) 0.088(5) Uani 1.00 d
N(13) N 0.871(2) 0.263(2) 0.1221(8) 0.15(1) Uani 1.00 d
N(14) N 0.375(1) 0.225(2) 0.1159(6) 0.154(9) Uani 1.00 d
C(1) C 0.8765(9) -0.359(1) 0.4206(5) 0.070(5) Uani 1.00 d
C(2) C 0.8682(10) -0.167(1) 0.4383(5) 0.076(6) Uani 1.00 d
C(3) C 0.865(1) -0.174(1) 0.4031(4) 0.087(6) Uani 1.00 d
C(4) C 0.891(2) -0.327(2) 0.4915(6) 0.143(9) Uani 1.00 d
C(5) C 0.832(1) -0.084(1) 0.3715(6) 0.131(8) Uani 1.00 d
C(6) C 0.972(1) -0.086(1) 0.3359(7) 0.127(8) Uani 1.00 d
C(7) C 1.0242(9) -0.168(1) 0.3093(4) 0.077(5) Uani 1.00 d
C(8) C 1.104(1) -0.133(1) 0.2909(5) 0.084(6) Uani 1.00 d
C(9) C 1.154(1) -0.219(2) 0.2738(5) 0.094(6) Uani 1.00 d
C(10) C 1.125(1) -0.340(2) 0.2733(5) 0.096(7) Uani 1.00 d
C(11) C 1.044(1) -0.369(1) 0.2902(5) 0.084(6) Uani 1.00 d
C(12) C 0.829(1) -0.078(1) 0.3038(6) 0.117(7) Uani 1.00 d
C(13) C 0.747(1) -0.160(1) 0.2976(5) 0.086(6) Uani 1.00 d
C(14) C 0.669(1) -0.117(1) 0.2803(5) 0.089(6) Uani 1.00 d
C(15) C 0.6053(9) -0.200(2) 0.2697(4) 0.075(5) Uani 1.00 d
C(16) C 0.619(1) -0.322(2) 0.2754(4) 0.082(6) Uani 1.00 d
C(17) C 0.698(1) -0.357(1) 0.2934(4) 0.068(5) Uani 1.00 d
C(18) C 0.8716(9) -0.601(1) 0.3341(4) 0.061(5) Uani 1.00 d
C(19) C 0.8684(10) -0.732(1) 0.3386(5) 0.082(5) Uani 1.00 d
C(20) C 0.6313(9) 0.415(2) 0.6248(5) 0.075(6) Uani 1.00 d
C(21) C 0.617(1) 0.347(2) 0.6804(5) 0.096(7) Uani 1.00 d
C(22) C 0.608(1) 0.256(2) 0.6569(5) 0.101(7) Uani 1.00 d
C(23) C 0.643(2) 0.575(2) 0.6734(6) 0.135(9) Uani 1.00 d
C(24) C 0.575(2) 0.122(2) 0.6605(6) 0.16(1) Uani 1.00 d
C(25) C 0.560(2) -0.053(2) 0.6214(6) 0.150(10) Uani 1.00 d
C(26) C 0.485(1) -0.025(2) 0.5949(5) 0.087(6) Uani 1.00 d
C(27) C 0.403(1) -0.089(2) 0.5916(6) 0.113(8) Uani 1.00 d
C(28) C 0.351(1) -0.062(2) 0.5620(7) 0.106(8) Uani 1.00 d
C(29) C 0.376(1) 0.023(2) 0.5369(5) 0.104(7) Uani 1.00 d
C(30) C 0.453(1) 0.082(1) 0.5427(4) 0.078(5) Uani 1.00 d
C(31) C 0.704(1) 0.021(3) 0.6418(7) 0.20(1) Uani 1.00 d
C(32) C 0.7631(10) -0.010(2) 0.6077(5) 0.094(6) Uani 1.00 d
C(33) C 0.841(1) -0.079(2) 0.6066(6) 0.110(7) Uani 1.00 d
C(34) C 0.898(1) -0.080(2) 0.5776(7) 0.117(8) Uani 1.00 d
C(35) C 0.8777(10) -0.002(2) 0.5489(6) 0.105(7) Uani 1.00 d
C(36) C 0.801(1) 0.061(2) 0.5491(4) 0.093(6) Uani 1.00 d
C(37) C 0.6295(9) 0.313(1) 0.5132(4) 0.066(5) Uani 1.00 d
C(38) C 0.629(1) 0.390(2) 0.4783(4) 0.087(6) Uani 1.00 d
C(39) C 0.881(2) 0.171(3) 0.1154(8) 0.114(9) Uani 1.00 d
C(40) C 0.888(2) 0.043(4) 0.1087(9) 0.22(2) Uani 1.00 d
C(41) C 0.377(1) 0.130(3) 0.1036(7) 0.132(10) Uani 1.00 d
C(42) C 0.377(1) 0.014(3) 0.089(1) 0.28(2) Uani 1.00 d
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
O O 0.011 0.006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
N N 0.006 0.003
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Cu Cu 0.320 1.265
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Cl Cl 0.148 0.159
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N(2) Cu(1) N(3) 81.4(7) 1_555 1_555 yes
N(2) Cu(1) N(4) 119.8(6) 1_555 1_555 yes
N(2) Cu(1) N(5) 117.2(6) 1_555 1_555 yes
N(2) Cu(1) N(6) 96.3(8) 1_555 1_555 yes
N(3) Cu(1) N(4) 82.3(6) 1_555 1_555 yes
N(3) Cu(1) N(5) 83.3(6) 1_555 1_555 yes
N(3) Cu(1) N(6) 177.6(7) 1_555 1_555 yes
N(4) Cu(1) N(5) 117.7(6) 1_555 1_555 yes
N(4) Cu(1) N(6) 98.6(7) 1_555 1_555 yes
N(5) Cu(1) N(6) 98.3(7) 1_555 1_555 yes
N(8) Cu(2) N(9) 83.3(7) 1_555 1_555 yes
N(8) Cu(2) N(10) 120.4(6) 1_555 1_555 yes
N(8) Cu(2) N(11) 117.1(7) 1_555 1_555 yes
N(8) Cu(2) N(12) 97.4(8) 1_555 1_555 yes
N(9) Cu(2) N(10) 82.7(7) 1_555 1_555 yes
N(9) Cu(2) N(11) 81.5(7) 1_555 1_555 yes
N(9) Cu(2) N(12) 179.2(8) 1_555 1_555 yes
N(10) Cu(2) N(11) 117.5(6) 1_555 1_555 yes
N(10) Cu(2) N(12) 96.6(8) 1_555 1_555 yes
N(11) Cu(2) N(12) 98.5(8) 1_555 1_555 yes
O(1) Cl(1) O(2) 112(2) 1_555 1_555 yes
O(1) Cl(1) O(3) 103(2) 1_555 1_555 yes
O(1) Cl(1) O(4) 104(2) 1_555 1_555 yes
O(2) Cl(1) O(3) 102(2) 1_555 1_555 yes
O(2) Cl(1) O(4) 116(2) 1_555 1_555 yes
O(3) Cl(1) O(4) 116(2) 1_555 1_555 yes
O(5) Cl(2) O(6) 104(1) 1_555 1_555 yes
O(5) Cl(2) O(7) 109(2) 1_555 1_555 yes
O(5) Cl(2) O(8) 116(1) 1_555 1_555 yes
O(6) Cl(2) O(7) 108(1) 1_555 1_555 yes
O(6) Cl(2) O(8) 105(1) 1_555 1_555 yes
O(7) Cl(2) O(8) 111(1) 1_555 1_555 yes
O(9) Cl(3) O(10) 110(1) 1_555 1_555 yes
O(9) Cl(3) O(11) 110(1) 1_555 1_555 yes
O(9) Cl(3) O(12) 110(1) 1_555 1_555 yes
O(10) Cl(3) O(11) 110(1) 1_555 1_555 yes
O(10) Cl(3) O(12) 104(1) 1_555 1_555 yes
O(11) Cl(3) O(12) 110(1) 1_555 1_555 yes
O(13) Cl(4) O(14) 111(2) 1_555 1_555 yes
O(13) Cl(4) O(15) 109(2) 1_555 1_555 yes
O(13) Cl(4) O(16) 102(2) 1_555 1_555 yes
O(14) Cl(4) O(15) 102(2) 1_555 1_555 yes
O(14) Cl(4) O(16) 114(2) 1_555 1_555 yes
O(15) Cl(4) O(16) 116(2) 1_555 1_555 yes
C(1) N(1) C(2) 107(1) 1_555 1_555 yes
C(1) N(1) C(4) 128(2) 1_555 1_555 yes
C(2) N(1) C(4) 123(2) 1_555 1_555 yes
Cu(1) N(2) C(1) 139(1) 1_555 1_555 yes
Cu(1) N(2) C(3) 113(1) 1_555 1_555 yes
C(1) N(2) C(3) 106(1) 1_555 1_555 yes
Cu(1) N(3) C(5) 110(1) 1_555 1_555 yes
Cu(1) N(3) C(6) 106(1) 1_555 1_555 yes
Cu(1) N(3) C(12) 105(1) 1_555 1_555 yes
C(5) N(3) C(6) 115(1) 1_555 1_555 yes
C(5) N(3) C(12) 109(1) 1_555 1_555 yes
C(6) N(3) C(12) 108(1) 1_555 1_555 yes
Cu(1) N(4) C(7) 111(1) 1_555 1_555 yes
Cu(1) N(4) C(11) 127(1) 1_555 1_555 yes
C(7) N(4) C(11) 120(1) 1_555 1_555 yes
Cu(1) N(5) C(13) 114(1) 1_555 1_555 yes
Cu(1) N(5) C(17) 131(1) 1_555 1_555 yes
C(13) N(5) C(17) 113(1) 1_555 1_555 yes
Cu(1) N(6) C(18) 177(2) 1_555 1_555 yes
C(20) N(7) C(21) 102(2) 1_555 1_555 yes
C(20) N(7) C(23) 127(2) 1_555 1_555 yes
C(21) N(7) C(23) 130(2) 1_555 1_555 yes
Cu(2) N(8) C(20) 144(1) 1_555 1_555 yes
Cu(2) N(8) C(22) 111(1) 1_555 1_555 yes
C(20) N(8) C(22) 103(1) 1_555 1_555 yes
Cu(2) N(9) C(24) 105(1) 1_555 1_555 yes
Cu(2) N(9) C(25) 105(1) 1_555 1_555 yes
Cu(2) N(9) C(31) 107(1) 1_555 1_555 yes
C(24) N(9) C(25) 106(2) 1_555 1_555 yes
C(24) N(9) C(31) 110(2) 1_555 1_555 yes
C(25) N(9) C(31) 119(2) 1_555 1_555 yes
Cu(2) N(10) C(26) 114(1) 1_555 1_555 yes
Cu(2) N(10) C(30) 129(1) 1_555 1_555 yes
C(26) N(10) C(30) 116(2) 1_555 1_555 yes
Cu(2) N(11) C(32) 110(1) 1_555 1_555 yes
Cu(2) N(11) C(36) 129(1) 1_555 1_555 yes
C(32) N(11) C(36) 119(1) 1_555 1_555 yes
Cu(2) N(12) C(37) 177(2) 1_555 1_555 yes
N(1) C(1) N(2) 109(2) 1_555 1_555 yes
N(1) C(2) C(3) 106(2) 1_555 1_555 yes
N(2) C(3) C(2) 110(1) 1_555 1_555 yes
N(2) C(3) C(5) 114(2) 1_555 1_555 yes
C(2) C(3) C(5) 134(2) 1_555 1_555 yes
N(3) C(5) C(3) 105(1) 1_555 1_555 yes
N(3) C(6) C(7) 112(1) 1_555 1_555 yes
N(4) C(7) C(6) 115(1) 1_555 1_555 yes
N(4) C(7) C(8) 121(1) 1_555 1_555 yes
C(6) C(7) C(8) 122(2) 1_555 1_555 yes
C(7) C(8) C(9) 118(2) 1_555 1_555 yes
C(8) C(9) C(10) 117(2) 1_555 1_555 yes
C(9) C(10) C(11) 119(2) 1_555 1_555 yes
N(4) C(11) C(10) 122(2) 1_555 1_555 yes
N(3) C(12) C(13) 108(1) 1_555 1_555 yes
N(5) C(13) C(12) 112(2) 1_555 1_555 yes
N(5) C(13) C(14) 123(2) 1_555 1_555 yes
C(12) C(13) C(14) 123(2) 1_555 1_555 yes
C(13) C(14) C(15) 117(2) 1_555 1_555 yes
C(14) C(15) C(16) 120(2) 1_555 1_555 yes
C(15) C(16) C(17) 120(2) 1_555 1_555 yes
N(5) C(17) C(16) 123(1) 1_555 1_555 yes
N(6) C(18) C(19) 174(2) 1_555 1_555 yes
N(7) C(20) N(8) 114(2) 1_555 1_555 yes
N(7) C(21) C(22) 107(2) 1_555 1_555 yes
N(8) C(22) C(21) 113(2) 1_555 1_555 yes
N(8) C(22) C(24) 117(2) 1_555 1_555 yes
C(21) C(22) C(24) 127(2) 1_555 1_555 yes
N(9) C(24) C(22) 108(2) 1_555 1_555 yes
N(9) C(25) C(26) 119(2) 1_555 1_555 yes
N(10) C(26) C(25) 111(2) 1_555 1_555 yes
N(10) C(26) C(27) 120(2) 1_555 1_555 yes
C(25) C(26) C(27) 126(2) 1_555 1_555 yes
C(26) C(27) C(28) 124(2) 1_555 1_555 yes
C(27) C(28) C(29) 115(2) 1_555 1_555 yes
C(28) C(29) C(30) 117(2) 1_555 1_555 yes
N(10) C(30) C(29) 124(2) 1_555 1_555 yes
N(9) C(31) C(32) 113(2) 1_555 1_555 yes
N(11) C(32) C(31) 115(2) 1_555 1_555 yes
N(11) C(32) C(33) 115(2) 1_555 1_555 yes
C(31) C(32) C(33) 127(2) 1_555 1_555 yes
C(32) C(33) C(34) 125(2) 1_555 1_555 yes
C(33) C(34) C(35) 115(2) 1_555 1_555 yes
C(34) C(35) C(36) 119(2) 1_555 1_555 yes
N(11) C(36) C(35) 123(2) 1_555 1_555 yes
N(12) C(37) C(38) 176(2) 1_555 1_555 yes
N(13) C(39) C(40) 176(4) 1_555 1_555 yes
N(14) C(41) C(42) 175(4) 1_555 1_555 yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Cu(1) N(2) 2.01(1) yes
Cu(1) N(3) 2.032(10) yes
Cu(1) N(4) 2.05(1) yes
Cu(1) N(5) 2.07(1) yes
Cu(1) N(6) 2.00(1) yes
Cu(2) N(8) 2.00(1) yes
Cu(2) N(9) 2.03(1) yes
Cu(2) N(10) 2.02(1) yes
Cu(2) N(11) 2.06(1) yes
Cu(2) N(12) 1.95(1) yes
Cl(1) O(1) 1.32(3) yes
Cl(1) O(2) 1.35(2) yes
Cl(1) O(3) 1.29(2) yes
Cl(1) O(4) 1.26(2) yes
Cl(2) O(5) 1.36(2) yes
Cl(2) O(6) 1.47(2) yes
Cl(2) O(7) 1.34(2) yes
Cl(2) O(8) 1.38(1) yes
Cl(3) O(9) 1.42(1) yes
Cl(3) O(10) 1.40(1) yes
Cl(3) O(11) 1.40(1) yes
Cl(3) O(12) 1.42(1) yes
Cl(4) O(13) 1.38(2) yes
Cl(4) O(14) 1.30(2) yes
Cl(4) O(15) 1.31(2) yes
Cl(4) O(16) 1.28(2) yes
N(1) C(1) 1.38(2) yes
N(1) C(2) 1.37(2) yes
N(1) C(4) 1.49(2) yes
N(2) C(1) 1.27(2) yes
N(2) C(3) 1.37(2) yes
N(3) C(5) 1.49(2) yes
N(3) C(6) 1.41(2) yes
N(3) C(12) 1.51(2) yes
N(4) C(7) 1.36(2) yes
N(4) C(11) 1.30(2) yes
N(5) C(13) 1.32(2) yes
N(5) C(17) 1.30(2) yes
N(6) C(18) 1.11(1) yes
N(7) C(20) 1.33(2) yes
N(7) C(21) 1.33(2) yes
N(7) C(23) 1.43(2) yes
N(8) C(20) 1.29(2) yes
N(8) C(22) 1.36(2) yes
N(9) C(24) 1.47(2) yes
N(9) C(25) 1.42(2) yes
N(9) C(31) 1.38(2) yes
N(10) C(26) 1.36(2) yes
N(10) C(30) 1.31(2) yes
N(11) C(32) 1.35(2) yes
N(11) C(36) 1.33(2) yes
N(12) C(37) 1.09(2) yes
N(13) C(39) 1.03(3) yes
N(14) C(41) 1.12(2) yes
C(2) C(3) 1.26(2) yes
C(3) C(5) 1.56(2) yes
C(6) C(7) 1.51(2) yes
C(7) C(8) 1.41(2) yes
C(8) C(9) 1.34(2) yes
C(9) C(10) 1.38(2) yes
C(10) C(11) 1.38(2) yes
C(12) C(13) 1.52(2) yes
C(13) C(14) 1.39(2) yes
C(14) C(15) 1.35(2) yes
C(15) C(16) 1.34(2) yes
C(16) C(17) 1.38(2) yes
C(18) C(19) 1.43(2) yes
C(21) C(22) 1.30(2) yes
C(22) C(24) 1.54(3) yes
C(25) C(26) 1.49(2) yes
C(26) C(27) 1.39(2) yes
C(27) C(28) 1.33(3) yes
C(28) C(29) 1.33(3) yes
C(29) C(30) 1.31(2) yes
C(31) C(32) 1.55(3) yes
C(32) C(33) 1.38(2) yes
C(33) C(34) 1.34(3) yes
C(34) C(35) 1.36(3) yes
C(35) C(36) 1.33(2) yes
C(37) C(38) 1.49(2) yes
C(39) C(40) 1.41(4) yes
C(41) C(42) 1.34(3) yes
