#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:27:59 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179329 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/26/4322666.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_4322666
loop_
_publ_author_name
'Kuljeet Singh'
'Jeffrey R. Long'
'Pericles Stavropoulos'
_publ_section_title
;
 Polynuclear Complexes of Copper(I) and the
 2-(3(5)-Pyrazolyl)-6-methylpyridine Ligand: Structures and Reactivity
 toward Small Molecules
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1073
_journal_page_last               1079
_journal_paper_doi               10.1021/ic9708071
_journal_volume                  37
_journal_year                    1998
_chemical_formula_sum            'C93 H88 Cu8 N24'
_chemical_formula_weight         2050.19
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 108.7320(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.9910(2)
_cell_length_b                   17.92540(10)
_cell_length_c                   19.5747(2)
_cell_measurement_temperature    163(2)
_cell_volume                     8969.06(13)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0453
_diffrn_reflns_av_sigmaI/netI    0.0427
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            18094
_diffrn_reflns_theta_max         23.25
_diffrn_reflns_theta_min         1.39
_exptl_absorpt_coefficient_mu    1.919
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_F_000             4184
_refine_diff_density_max         0.612
_refine_diff_density_min         -0.366
_refine_diff_density_rms         0.074
_refine_ls_extinction_coef       0.00003(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.201
_refine_ls_goodness_of_fit_obs   1.216
_refine_ls_matrix_type           full
_refine_ls_number_parameters     569
_refine_ls_number_reflns         6383
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.207
_refine_ls_restrained_S_obs      1.216
_refine_ls_R_factor_all          0.0715
_refine_ls_R_factor_obs          0.0498
_refine_ls_shift/esd_max         -0.003
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0279P)²+38.5059P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1121
_refine_ls_wR_factor_obs         0.0986
_reflns_number_observed          4989
_reflns_number_total             6390
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic9708071_1.cif
_cod_data_source_block           Structure3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0279P)^2^+38.5059P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0279P)^2^+38.5059P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        8969.06(12)
_cod_database_code               4322666
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Cu1 Cu 0.03634(3) 0.66435(4) 0.20577(4) 0.0403(2) Uani 1 d . .
Cu2 Cu 0.12622(3) 0.76686(4) 0.14087(4) 0.0420(2) Uani 1 d . .
Cu3 Cu 0.01771(3) 0.79074(4) -0.02283(4) 0.0443(2) Uani 1 d . .
Cu4 Cu -0.06424(3) 0.67099(4) 0.02864(4) 0.0439(2) Uani 1 d . .
N1 N 0.0742(2) 0.7458(2) 0.2541(2) 0.0415(11) Uani 1 d . .
N2 N 0.1061(2) 0.7843(2) 0.2247(2) 0.0345(10) Uani 1 d . .
N3 N 0.1724(2) 0.8740(2) 0.1867(2) 0.0368(10) Uani 1 d . .
C1 C 0.0768(2) 0.7793(3) 0.3166(3) 0.050(2) Uani 1 d . .
H1A H 0.0586(2) 0.7642(3) 0.3472(3) 0.061 Uiso 1 calc R .
C2 C 0.1105(2) 0.8391(3) 0.3287(3) 0.0488(15) Uani 1 d . .
H2A H 0.1196(2) 0.8712(3) 0.3682(3) 0.059 Uiso 1 calc R .
C3 C 0.1279(2) 0.8410(3) 0.2690(3) 0.0374(13) Uani 1 d . .
C4 C 0.1626(2) 0.8917(3) 0.2478(3) 0.0412(13) Uani 1 d . .
C5 C 0.1832(2) 0.9549(3) 0.2873(4) 0.058(2) Uani 1 d . .
H5A H 0.1757(2) 0.9664(3) 0.3293(4) 0.070 Uiso 1 calc R .
C6 C 0.2153(3) 1.0008(4) 0.2626(4) 0.068(2) Uani 1 d . .
H6A H 0.2297(3) 1.0437(4) 0.2880(4) 0.082 Uiso 1 calc R .
C7 C 0.2254(2) 0.9822(3) 0.2007(4) 0.058(2) Uani 1 d . .
H7A H 0.2470(2) 1.0125(3) 0.1838(4) 0.069 Uiso 1 calc R .
C8 C 0.2037(2) 0.9184(3) 0.1631(3) 0.0453(14) Uani 1 d . .
C9 C 0.2142(3) 0.8950(4) 0.0957(3) 0.063(2) Uani 1 d . .
H9A H 0.1957(3) 0.8496(4) 0.0779(3) 0.094 Uiso 1 calc R .
H9B H 0.2511(3) 0.8869(4) 0.1061(3) 0.094 Uiso 1 calc R .
H9C H 0.2027(3) 0.9334(4) 0.0599(3) 0.094 Uiso 1 calc R .
N4 N 0.0819(2) 0.7472(2) -0.0184(2) 0.0390(11) Uani 1 d . .
N5 N 0.1219(2) 0.7401(2) 0.0450(2) 0.0351(10) Uani 1 d . .
N6 N 0.2077(2) 0.7086(2) 0.1559(3) 0.0441(11) Uani 1 d . .
C10 C 0.0989(2) 0.7218(3) -0.0710(3) 0.0495(15) Uani 1 d . .
H10A H 0.0791(2) 0.7210(3) -0.1196(3) 0.059 Uiso 1 calc R .
C11 C 0.1492(2) 0.6969(3) -0.0435(3) 0.0468(15) Uani 1 d . .
H11A H 0.1698(2) 0.6764(3) -0.0688(3) 0.056 Uiso 1 calc R .
C12 C 0.1630(2) 0.7089(3) 0.0301(3) 0.0364(12) Uani 1 d . .
C13 C 0.2112(2) 0.6974(3) 0.0897(3) 0.0444(14) Uani 1 d . .
C14 C 0.2586(2) 0.6801(4) 0.0797(4) 0.062(2) Uani 1 d . .
H14A H 0.2605(2) 0.6717(4) 0.0338(4) 0.074 Uiso 1 calc R .
C15 C 0.3028(3) 0.6755(4) 0.1396(5) 0.073(2) Uani 1 d . .
H15A H 0.3350(3) 0.6648(4) 0.1342(5) 0.088 Uiso 1 calc R .
C16 C 0.2990(3) 0.6867(4) 0.2061(4) 0.067(2) Uani 1 d . .
H16A H 0.3287(3) 0.6837(4) 0.2465(4) 0.081 Uiso 1 calc R .
C17 C 0.2510(2) 0.7027(3) 0.2140(4) 0.051(2) Uani 1 d . .
C18 C 0.2444(3) 0.7122(4) 0.2863(3) 0.071(2) Uani 1 d . .
H18A H 0.2084(3) 0.7230(4) 0.2803(3) 0.106 Uiso 1 calc R .
H18B H 0.2659(3) 0.7527(4) 0.3113(3) 0.106 Uiso 1 calc R .
H18C H 0.2545(3) 0.6671(4) 0.3136(3) 0.106 Uiso 1 calc R .
N7 N -0.0850(2) 0.7680(2) -0.0051(2) 0.0433(11) Uani 1 d . .
N8 N -0.0510(2) 0.8127(2) -0.0247(2) 0.0388(11) Uani 1 d . .
N9 N 0.0035(2) 0.9164(3) -0.0698(3) 0.0552(13) Uani 1 d . .
C19 C -0.1301(2) 0.8062(3) -0.0196(3) 0.052(2) Uani 1 d . .
H19A H -0.1598(2) 0.7885(3) -0.0108(3) 0.062 Uiso 1 calc R .
C20 C -0.1265(2) 0.8744(3) -0.0491(3) 0.0496(15) Uani 1 d . .
H20A H -0.1523(2) 0.9108(3) -0.0643(3) 0.060 Uiso 1 calc R .
C21 C -0.0757(2) 0.8768(3) -0.0511(3) 0.0446(14) Uani 1 d . .
C22 C -0.0462(2) 0.9343(3) -0.0750(3) 0.0486(15) Uani 1 d . .
C23 C -0.0679(3) 1.0023(4) -0.1020(4) 0.073(2) Uani 1 d . .
H23A H -0.1025(3) 1.0129(4) -0.1066(4) 0.088 Uiso 1 calc R .
C24 C -0.0374(3) 1.0541(4) -0.1218(5) 0.086(2) Uani 1 d . .
H24A H -0.0508(3) 1.1010(4) -0.1382(5) 0.103 Uiso 1 calc R .
C25 C 0.0126(3) 1.0359(4) -0.1172(4) 0.083(2) Uani 1 d . .
H25A H 0.0334(3) 1.0697(4) -0.1319(4) 0.099 Uiso 1 calc R .
C26 C 0.0325(3) 0.9663(4) -0.0905(4) 0.067(2) Uani 1 d . .
C27 C 0.0876(3) 0.9438(4) -0.0825(5) 0.094(3) Uani 1 d . .
H27A H 0.0939(3) 0.8941(4) -0.0633(5) 0.142 Uiso 1 calc R .
H27B H 0.1115(3) 0.9777(4) -0.0502(5) 0.142 Uiso 1 calc R .
H27C H 0.0928(3) 0.9452(4) -0.1287(5) 0.142 Uiso 1 calc R .
N10 N 0.0038(2) 0.5817(2) 0.1528(2) 0.0398(11) Uani 1 d . .
N11 N -0.0305(2) 0.5877(2) 0.0842(2) 0.0369(10) Uani 1 d . .
N12 N -0.0992(2) 0.5739(3) -0.0484(2) 0.0439(11) Uani 1 d . .
C28 C 0.0138(2) 0.5085(3) 0.1655(3) 0.0448(14) Uani 1 d . .
H28A H 0.0361(2) 0.4889(3) 0.2084(3) 0.054 Uiso 1 calc R .
C29 C -0.0130(2) 0.4670(3) 0.1070(3) 0.0447(14) Uani 1 d . .
H29A H -0.0128(2) 0.4154(3) 0.1021(3) 0.054 Uiso 1 calc R .
C30 C -0.0406(2) 0.5188(3) 0.0563(3) 0.0341(12) Uani 1 d . .
C31 C -0.0768(2) 0.5101(3) -0.0168(3) 0.0387(13) Uani 1 d . .
C32 C -0.0871(2) 0.4416(3) -0.0505(3) 0.0411(13) Uani 1 d . .
H32A H -0.0713(2) 0.3984(3) -0.0271(3) 0.049 Uiso 1 calc R .
C33 C -0.1213(2) 0.4391(3) -0.1198(3) 0.0493(15) Uani 1 d . .
H33A H -0.1289(2) 0.3938(3) -0.1442(3) 0.059 Uiso 1 calc R .
C34 C -0.1441(2) 0.5030(4) -0.1524(3) 0.055(2) Uani 1 d . .
H34A H -0.1669(2) 0.5015(4) -0.1995(3) 0.066 Uiso 1 calc R .
C35 C -0.1335(2) 0.5704(3) -0.1160(3) 0.051(2) Uani 1 d . .
C36 C -0.1592(3) 0.6415(4) -0.1475(4) 0.083(2) Uani 1 d . .
H36A H -0.1464(3) 0.6813(4) -0.1135(4) 0.125 Uiso 1 calc R .
H36B H -0.1964(3) 0.6370(4) -0.1582(4) 0.125 Uiso 1 calc R .
H36C H -0.1514(3) 0.6523(4) -0.1910(4) 0.125 Uiso 1 calc R .
C37 C -0.1655(3) 0.5509(7) 0.0960(4) 0.086(3) Uani 1 d . .
C38 C -0.1782(4) 0.6252(7) 0.0997(7) 0.117(4) Uani 1 d . .
H38A H -0.1614(4) 0.6534(7) 0.1404(7) 0.140 Uiso 1 calc R .
C39 C -0.2154(5) 0.6561(6) 0.0431(9) 0.133(4) Uani 1 d . .
H39A H -0.2245(5) 0.7058(6) 0.0459(9) 0.159 Uiso 1 calc R .
C40 C -0.2407(4) 0.6155(7) -0.0195(7) 0.123(4) Uani 1 d . .
H40A H -0.2665(4) 0.6372(7) -0.0579(7) 0.148 Uiso 1 calc R .
C41 C -0.2262(3) 0.5436(5) -0.0221(5) 0.089(2) Uani 1 d . .
H41A H -0.2416(3) 0.5155(5) -0.0634(5) 0.107 Uiso 1 calc R .
C42 C -0.1890(3) 0.5119(4) 0.0355(4) 0.069(2) Uani 1 d . .
H42A H -0.1798(3) 0.4623(4) 0.0327(4) 0.083 Uiso 1 calc R .
C43 C -0.1270(4) 0.5163(9) 0.1578(5) 0.175(7) Uani 1 d . .
H43A H -0.1146(4) 0.5524(9) 0.1957(5) 0.262 Uiso 1 calc R .
H43B H -0.0982(4) 0.4982(9) 0.1438(5) 0.262 Uiso 1 calc R .
H43C H -0.1429(4) 0.4753(9) 0.1747(5) 0.262 Uiso 1 calc R .
C44 C -0.0155(8) 0.7117(12) -0.2355(8) 0.325(23) Uani 1 d . .
C45 C -0.0554(9) 0.7742(34) -0.2099(13) 0.580(43) Uani 1 d . .
C46 C -0.0179(5) 0.8184(10) -0.2341(6) 0.150(5) Uani 1 d . .
C47 C -0.0456(11) 0.7049(10) -0.2146(10) 0.091(7) Uani 0.50 d P .
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Cu1 N10 174.1(2) . . ?
N1 Cu1 Cu1 93.43(13) . 2 ?
N10 Cu1 Cu1 92.41(13) . 2 ?
N5 Cu2 N2 160.4(2) . . ?
N5 Cu2 N3 116.6(2) . . ?
N2 Cu2 N3 78.3(2) . . ?
N5 Cu2 N6 76.8(2) . . ?
N2 Cu2 N6 118.3(2) . . ?
N3 Cu2 N6 87.42(15) . . ?
N4 Cu3 N8 167.4(2) . . ?
N4 Cu3 N9 115.9(2) . . ?
N8 Cu3 N9 76.3(2) . . ?
N7 Cu4 N11 164.2(2) . . ?
N7 Cu4 N12 117.2(2) . . ?
N11 Cu4 N12 78.5(2) . . ?
C1 N1 N2 107.5(4) . . ?
C1 N1 Cu1 132.5(4) . . ?
N2 N1 Cu1 120.0(3) . . ?
C3 N2 N1 108.4(4) . . ?
C3 N2 Cu2 119.4(3) . . ?
N1 N2 Cu2 132.0(3) . . ?
C4 N3 C8 119.3(5) . . ?
C4 N3 Cu2 107.9(3) . . ?
C8 N3 Cu2 132.8(4) . . ?
N1 C1 C2 110.2(5) . . ?
C1 C2 C3 104.8(5) . . ?
N2 C3 C2 109.1(5) . . ?
N2 C3 C4 118.5(5) . . ?
C2 C3 C4 132.4(5) . . ?
N3 C4 C5 122.2(5) . . ?
N3 C4 C3 115.7(5) . . ?
C5 C4 C3 122.1(5) . . ?
C4 C5 C6 118.3(6) . . ?
C7 C6 C5 119.3(6) . . ?
C6 C7 C8 120.0(6) . . ?
N3 C8 C7 120.8(6) . . ?
N3 C8 C9 117.0(5) . . ?
C7 C8 C9 122.2(5) . . ?
C10 N4 N5 107.7(4) . . ?
C10 N4 Cu3 130.3(4) . . ?
N5 N4 Cu3 122.0(3) . . ?
C12 N5 N4 107.8(4) . . ?
C12 N5 Cu2 121.3(4) . . ?
N4 N5 Cu2 130.9(3) . . ?
C13 N6 C17 119.4(5) . . ?
C13 N6 Cu2 107.3(3) . . ?
C17 N6 Cu2 131.2(4) . . ?
N4 C10 C11 110.6(5) . . ?
C10 C11 C12 105.1(5) . . ?
N5 C12 C11 108.8(5) . . ?
N5 C12 C13 118.0(5) . . ?
C11 C12 C13 133.2(5) . . ?
N6 C13 C14 121.5(6) . . ?
N6 C13 C12 115.4(5) . . ?
C14 C13 C12 123.0(6) . . ?
C15 C14 C13 118.5(7) . . ?
C16 C15 C14 119.8(6) . . ?
C15 C16 C17 120.1(7) . . ?
N6 C17 C16 120.7(6) . . ?
N6 C17 C18 117.1(5) . . ?
C16 C17 C18 122.2(6) . . ?
C19 N7 N8 106.6(4) . . ?
C19 N7 Cu4 133.8(4) . . ?
N8 N7 Cu4 119.5(3) . . ?
C21 N8 N7 108.5(4) . . ?
C21 N8 Cu3 123.2(4) . . ?
N7 N8 Cu3 128.2(3) . . ?
C26 N9 C22 118.8(5) . . ?
C26 N9 Cu3 134.7(4) . . ?
C22 N9 Cu3 106.5(4) . . ?
N7 C19 C20 111.2(5) . . ?
C19 C20 C21 104.1(5) . . ?
N8 C21 C20 109.5(5) . . ?
N8 C21 C22 118.0(5) . . ?
C20 C21 C22 132.5(5) . . ?
N9 C22 C23 121.8(5) . . ?
N9 C22 C21 115.9(5) . . ?
C23 C22 C21 122.3(5) . . ?
C24 C23 C22 119.0(6) . . ?
C25 C24 C23 119.2(6) . . ?
C24 C25 C26 119.5(6) . . ?
N9 C26 C25 121.5(6) . . ?
N9 C26 C27 116.5(6) . . ?
C25 C26 C27 122.0(6) . . ?
C28 N10 N11 106.9(4) . . ?
C28 N10 Cu1 129.9(4) . . ?
N11 N10 Cu1 122.3(3) . . ?
C30 N11 N10 108.2(4) . . ?
C30 N11 Cu4 119.6(4) . . ?
N10 N11 Cu4 132.3(3) . . ?
C31 N12 C35 118.4(5) . . ?
C31 N12 Cu4 108.2(3) . . ?
C35 N12 Cu4 133.3(4) . . ?
N10 C28 C29 110.9(5) . . ?
C28 C29 C30 104.7(5) . . ?
N11 C30 C29 109.4(5) . . ?
N11 C30 C31 118.8(5) . . ?
C29 C30 C31 131.7(5) . . ?
N12 C31 C32 122.9(5) . . ?
N12 C31 C30 114.8(5) . . ?
C32 C31 C30 122.2(5) . . ?
C33 C32 C31 118.0(5) . . ?
C34 C33 C32 119.7(6) . . ?
C33 C34 C35 120.4(6) . . ?
N12 C35 C34 120.5(5) . . ?
N12 C35 C36 116.5(6) . . ?
C34 C35 C36 122.9(6) . . ?
C42 C37 C38 119.4(9) . . ?
C42 C37 C43 121.3(11) . . ?
C38 C37 C43 119.3(11) . . ?
C39 C38 C37 118.9(10) . . ?
C38 C39 C40 121.9(11) . . ?
C41 C40 C39 117.6(10) . . ?
C40 C41 C42 120.6(10) . . ?
C37 C42 C41 121.5(8) . . ?
C47 C44 C44 171.2(20) . 2_554 ?
C47 C44 C45 47.0(27) . . ?
C44 C44 C45 139.3(22) 2_554 . ?
C47 C44 C46 94.5(22) . . ?
C44 C44 C46 92.3(7) 2_554 . ?
C45 C44 C46 47.5(21) . . ?
C47 C45 C46 108.6(18) . . ?
C47 C45 C44 36.1(12) . . ?
C46 C45 C44 72.6(11) . . ?
C46 C46 C45 147.2(19) 2_554 . ?
C46 C46 C44 87.7(7) 2_554 . ?
C45 C46 C44 60.0(19) . . ?
C44 C47 C45 96.9(33) . . ?
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 N1 1.857(4) . ?
Cu1 N10 1.859(4) . ?
Cu1 Cu1 3.0045(13) 2 ?
Cu2 N5 1.904(4) . ?
Cu2 N2 1.913(4) . ?
Cu2 N3 2.307(4) . ?
Cu2 N6 2.366(4) . ?
Cu3 N4 1.878(4) . ?
Cu3 N8 1.886(4) . ?
Cu3 N9 2.416(5) . ?
Cu4 N7 1.880(4) . ?
Cu4 N11 1.899(4) . ?
Cu4 N12 2.297(5) . ?
N1 C1 1.343(7) . ?
N1 N2 1.368(5) . ?
N2 C3 1.343(6) . ?
N3 C4 1.344(7) . ?
N3 C8 1.347(7) . ?
C1 C2 1.376(8) . ?
C2 C3 1.394(7) . ?
C3 C4 1.457(7) . ?
C4 C5 1.384(8) . ?
C5 C6 1.388(9) . ?
C6 C7 1.367(9) . ?
C7 C8 1.385(8) . ?
C8 C9 1.495(8) . ?
N4 C10 1.334(7) . ?
N4 N5 1.363(6) . ?
N5 C12 1.356(6) . ?
N6 C13 1.344(7) . ?
N6 C17 1.349(7) . ?
C10 C11 1.365(8) . ?
C11 C12 1.384(7) . ?
C12 C13 1.457(7) . ?
C13 C14 1.389(8) . ?
C14 C15 1.379(10) . ?
C15 C16 1.353(10) . ?
C16 C17 1.383(9) . ?
C17 C18 1.491(9) . ?
N7 C19 1.345(7) . ?
N7 N8 1.361(6) . ?
N8 C21 1.346(7) . ?
N9 C26 1.336(7) . ?
N9 C22 1.349(7) . ?
C19 C20 1.369(8) . ?
C20 C21 1.385(7) . ?
C21 C22 1.467(8) . ?
C22 C23 1.382(8) . ?
C23 C24 1.376(9) . ?
C24 C25 1.365(9) . ?
C25 C26 1.391(9) . ?
C26 C27 1.501(9) . ?
N10 C28 1.347(7) . ?
N10 N11 1.368(6) . ?
N11 C30 1.342(6) . ?
N12 C31 1.349(7) . ?
N12 C35 1.352(7) . ?
C28 C29 1.362(8) . ?
C29 C30 1.388(7) . ?
C30 C31 1.459(7) . ?
C31 C32 1.380(7) . ?
C32 C33 1.374(7) . ?
C33 C34 1.360(8) . ?
C34 C35 1.385(8) . ?
C35 C36 1.487(8) . ?
C37 C42 1.345(10) . ?
C37 C38 1.383(13) . ?
C37 C43 1.458(12) . ?
C38 C39 1.352(15) . ?
C39 C40 1.400(15) . ?
C40 C41 1.352(13) . ?
C41 C42 1.369(10) . ?
C44 C47 1.03(3) . ?
C44 C44 1.15(4) 2_554 ?
C44 C45 1.74(4) . ?
C44 C46 1.91(3) . ?
C45 C47 1.28(6) . ?
C45 C46 1.48(6) . ?
C46 C46 1.31(2) 2_554 ?
