#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:25:49 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179327 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/24/4322424.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_4322424
loop_
_publ_author_name
'Douglas J. Chesnut'
'Anakarin Kusnetzow'
'Robert Birge'
'Jon Zubieta'
_publ_section_title
;
 Ligand Influences on Copper Cyanide Solid-State Architecture: Flattened
 and Fused "Slinky", Corrugated Sheet, and Ribbon Motifs in the
 Copper-Cyanide-Triazolate-Organoamine Family
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5484
_journal_page_last               5494
_journal_paper_doi               10.1021/ic990385q
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'C17 H10 Cu4 N8'
_chemical_formula_weight         580.49
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 103.865(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.590(3)
_cell_length_b                   20.555(4)
_cell_length_c                   16.158(3)
_cell_measurement_temperature    115(2)
_cell_volume                     3737.2(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_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  0.0331
_diffrn_reflns_av_sigmaI/netI    0.0399
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            24298
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    4.512
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_density_diffrn    2.063
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2272
_refine_diff_density_max         0.759
_refine_diff_density_min         -1.114
_refine_diff_density_rms         0.170
_refine_ls_extinction_coef       0.00087(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     524
_refine_ls_number_reflns         8965
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0403
_refine_ls_R_factor_gt           0.0327
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0459P)²+1.5984P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0792
_refine_ls_wR_factor_ref         0.0824
_reflns_number_gt                7791
_reflns_number_total             8965
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic990385q_5.cif
_cod_data_source_block           '[Cu4(CN)3(trz)(1,10-phen)]'
_cod_original_cell_volume        3737.3(14)
_cod_database_code               4322424
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.03670(3) 0.087951(15) 0.51259(2) 0.01406(8) Uani 1 1 d . . .
Cu2 Cu 0.48185(3) 0.176069(16) 0.83797(2) 0.01839(9) Uani 1 1 d . . .
Cu3 Cu 0.37740(3) -0.053858(16) 0.79272(2) 0.01550(8) Uani 1 1 d . . .
Cu4 Cu 0.43827(3) -0.289953(16) 0.84462(2) 0.01460(8) Uani 1 1 d . . .
Cu5 Cu 0.74285(3) -0.415576(17) 1.03900(2) 0.01943(9) Uani 1 1 d . . .
Cu6 Cu 1.02444(3) -0.525340(18) 1.26548(2) 0.02124(9) Uani 1 1 d . . .
Cu7 Cu 0.12139(3) -0.475213(15) 0.61625(2) 0.01520(8) Uani 1 1 d . . .
Cu8 Cu 0.03237(3) -0.323419(15) 0.52713(2) 0.01415(8) Uani 1 1 d . . .
N13 N 0.1920(2) -0.39889(10) 0.66732(14) 0.0141(4) Uani 1 1 d . . .
N14 N 0.1594(2) -0.33690(10) 0.63485(14) 0.0139(4) Uani 1 1 d . . .
N15 N 0.3020(2) -0.32708(10) 0.75458(14) 0.0140(4) Uani 1 1 d . . .
N16 N 0.1022(2) -0.04530(10) 0.57010(14) 0.0135(4) Uani 1 1 d . . .
N17 N 0.2406(2) -0.03321(11) 0.69193(15) 0.0148(4) Uani 1 1 d . . .
N18 N 0.1291(2) 0.02023(10) 0.58131(14) 0.0139(4) Uani 1 1 d . . .
N19 N 0.4016(2) 0.25794(12) 0.77878(14) 0.0173(5) Uani 1 1 d . . .
N20 N 0.5776(2) 0.24387(11) 0.91877(14) 0.0152(4) Uani 1 1 d . . .
N21 N 1.1615(2) -0.52614(12) 1.36910(15) 0.0169(5) Uani 1 1 d . . .
N22 N 1.0569(2) -0.62499(12) 1.27071(14) 0.0178(5) Uani 1 1 d . . .
C1 C 0.0037(2) 0.23363(11) 0.49437(15) 0.0141(5) Uani 0.50 1 d P . .
N1 N 0.0037(2) 0.23363(11) 0.49437(15) 0.0141(5) Uani 0.50 1 d P . .
C2 C 0.0245(2) 0.17835(13) 0.50412(17) 0.0220(6) Uani 0.50 1 d P . .
N2 N 0.0245(2) 0.17835(13) 0.50412(17) 0.0220(6) Uani 0.50 1 d P . .
C3 C 0.4648(2) 0.08646(14) 0.82563(17) 0.0227(6) Uani 0.50 1 d P . .
N3 N 0.4648(2) 0.08646(14) 0.82563(17) 0.0227(6) Uani 0.50 1 d P . .
C4 C 0.4478(2) 0.03097(11) 0.81730(15) 0.0134(5) Uani 0.50 1 d P . .
N4 N 0.4478(2) 0.03097(11) 0.81730(15) 0.0134(5) Uani 0.50 1 d P . .
C5 C 0.3981(2) -0.14161(14) 0.82459(16) 0.0211(5) Uani 0.50 1 d P . .
N5 N 0.3981(2) -0.14161(14) 0.82459(16) 0.0211(5) Uani 0.50 1 d P . .
C6 C 0.4109(2) -0.19704(11) 0.83711(15) 0.0119(4) Uani 0.50 1 d P . .
N6 N 0.4109(2) -0.19704(11) 0.83711(15) 0.0119(4) Uani 0.50 1 d P . .
C7 C 0.5577(2) -0.34225(13) 0.91204(16) 0.0195(5) Uani 0.50 1 d P . .
N7 N 0.5577(2) -0.34225(13) 0.91204(16) 0.0195(5) Uani 0.50 1 d P . .
C8 C 0.6307(2) -0.37302(12) 0.95707(16) 0.0154(5) Uani 0.50 1 d P . .
N8 N 0.6307(2) -0.37302(12) 0.95707(16) 0.0154(5) Uani 0.50 1 d P . .
C9 C 0.8408(2) -0.45592(14) 1.13109(16) 0.0193(5) Uani 0.50 1 d P . .
N9 N 0.8408(2) -0.45592(14) 1.13109(16) 0.0193(5) Uani 0.50 1 d P . .
C10 C 0.9098(3) -0.48075(14) 1.18532(18) 0.0248(6) Uani 0.50 1 d P . .
N10 N 0.9098(3) -0.48075(14) 1.18532(18) 0.0248(6) Uani 0.50 1 d P . .
C11 C 0.0653(2) -0.55404(11) 0.56926(15) 0.0137(5) Uani 0.50 1 d P . .
N11 N 0.0653(2) -0.55404(11) 0.56926(15) 0.0137(5) Uani 0.50 1 d P . .
C12 C -0.0267(2) -0.39920(13) 0.46595(17) 0.0193(5) Uani 0.50 1 d P . .
N12 N -0.0267(2) -0.39920(13) 0.46595(17) 0.0193(5) Uani 0.50 1 d P . .
C13 C 0.2761(2) -0.39023(13) 0.73775(18) 0.0168(5) Uani 1 1 d . . .
H13 H 0.3134 -0.4242 0.7720 0.020 Uiso 1 1 calc R . .
C14 C 0.2267(2) -0.29672(13) 0.68904(16) 0.0136(5) Uani 1 1 d . . .
H14 H 0.2230 -0.2517 0.6829 0.016 Uiso 1 1 calc R . .
C15 C 0.1709(2) -0.07429(13) 0.63724(17) 0.0155(5) Uani 1 1 d . . .
H15 H 0.1709 -0.1190 0.6458 0.019 Uiso 1 1 calc R . .
C16 C 0.2111(2) 0.02472(13) 0.65401(17) 0.0153(5) Uani 1 1 d . . .
H16 H 0.2448 0.0639 0.6765 0.018 Uiso 1 1 calc R . .
C17 C 0.3139(3) 0.26366(16) 0.70912(18) 0.0235(6) Uani 1 1 d . . .
H17 H 0.2836 0.2262 0.6794 0.028 Uiso 1 1 calc R . .
C18 C 0.2653(3) 0.32445(18) 0.6786(2) 0.0316(8) Uani 1 1 d . . .
H18 H 0.2034 0.3269 0.6300 0.038 Uiso 1 1 calc R . .
C19 C 0.3099(3) 0.37932(17) 0.7211(2) 0.0326(8) Uani 1 1 d . . .
H19 H 0.2778 0.4196 0.7017 0.039 Uiso 1 1 calc R . .
C20 C 0.4044(3) 0.37577(15) 0.7942(2) 0.0246(7) Uani 1 1 d . . .
C21 C 0.4608(3) 0.43118(15) 0.8411(2) 0.0322(8) Uani 1 1 d . . .
H21 H 0.4330 0.4727 0.8240 0.039 Uiso 1 1 calc R . .
C22 C 0.5536(3) 0.42440(15) 0.9095(2) 0.0312(8) Uani 1 1 d . . .
H22 H 0.5892 0.4612 0.9380 0.037 Uiso 1 1 calc R . .
C23 C 0.5981(3) 0.36087(15) 0.9391(2) 0.0228(6) Uani 1 1 d . . .
C24 C 0.6930(3) 0.35042(16) 1.0102(2) 0.0273(7) Uani 1 1 d . . .
H24 H 0.7328 0.3855 1.0406 0.033 Uiso 1 1 calc R . .
C25 C 0.7262(3) 0.28806(17) 1.0344(2) 0.0263(7) Uani 1 1 d . . .
H25 H 0.7883 0.2804 1.0818 0.032 Uiso 1 1 calc R . .
C26 C 0.6665(3) 0.23612(15) 0.98751(18) 0.0205(6) Uani 1 1 d . . .
H26 H 0.6898 0.1940 1.0051 0.025 Uiso 1 1 calc R . .
C27 C 0.5436(2) 0.30603(14) 0.89537(18) 0.0165(5) Uani 1 1 d . . .
C28 C 0.4467(2) 0.31332(14) 0.82096(17) 0.0168(5) Uani 1 1 d . . .
C29 C 1.2168(3) -0.47624(15) 1.41512(19) 0.0220(6) Uani 1 1 d . . .
H29 H 1.1912 -0.4342 1.3991 0.026 Uiso 1 1 calc R . .
C30 C 1.3124(3) -0.48471(16) 1.4870(2) 0.0247(6) Uani 1 1 d . . .
H30 H 1.3489 -0.4488 1.5173 0.030 Uiso 1 1 calc R . .
C31 C 1.3511(3) -0.54657(16) 1.51169(18) 0.0221(6) Uani 1 1 d . . .
H31 H 1.4138 -0.5527 1.5591 0.027 Uiso 1 1 calc R . .
C32 C 1.2954(2) -0.60053(15) 1.46492(17) 0.0183(6) Uani 1 1 d . . .
C33 C 1.3287(3) -0.66673(16) 1.48587(18) 0.0212(6) Uani 1 1 d . . .
H33 H 1.3919 -0.6755 1.5321 0.025 Uiso 1 1 calc R . .
C34 C 1.2701(3) -0.71663(15) 1.43984(18) 0.0221(6) Uani 1 1 d . . .
H34 H 1.2915 -0.7592 1.4563 0.027 Uiso 1 1 calc R . .
C35 C 1.1747(3) -0.70502(14) 1.36541(18) 0.0185(6) Uani 1 1 d . . .
C36 C 1.1128(3) -0.75492(16) 1.3135(2) 0.0255(6) Uani 1 1 d . . .
H36 H 1.1292 -0.7983 1.3280 0.031 Uiso 1 1 calc R . .
C37 C 1.0277(3) -0.73883(16) 1.2410(2) 0.0261(7) Uani 1 1 d . . .
H37 H 0.9873 -0.7712 1.2054 0.031 Uiso 1 1 calc R . .
C38 C 1.0030(3) -0.67315(16) 1.22156(19) 0.0234(6) Uani 1 1 d . . .
H38 H 0.9462 -0.6628 1.1721 0.028 Uiso 1 1 calc R . .
C39 C 1.1415(2) -0.64060(14) 1.34172(17) 0.0157(5) Uani 1 1 d . . .
C40 C 1.2012(2) -0.58722(14) 1.39366(17) 0.0148(5) Uani 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'
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
C2 Cu1 N18 141.25(11) . . ?
C2 Cu1 N16 110.35(10) . 3_556 ?
N18 Cu1 N16 108.04(9) . 3_556 ?
C2 Cu1 Cu5 93.50(9) . 2_656 ?
N18 Cu1 Cu5 74.93(7) . 2_656 ?
N16 Cu1 Cu5 114.75(7) 3_556 2_656 ?
C3 Cu2 N20 140.47(11) . . ?
C3 Cu2 N19 137.79(11) . . ?
N20 Cu2 N19 81.62(9) . . ?
C5 Cu3 C4 142.57(11) . . ?
C5 Cu3 N17 116.48(10) . . ?
C4 Cu3 N17 100.81(10) . . ?
C7 Cu4 C6 133.43(10) . . ?
C7 Cu4 N15 122.72(10) . . ?
C6 Cu4 N15 103.83(9) . . ?
C9 Cu5 C8 171.81(11) . . ?
C9 Cu5 Cu1 80.01(8) . 2_646 ?
C8 Cu5 Cu1 107.67(8) . 2_646 ?
C10 Cu6 N21 150.81(12) . . ?
C10 Cu6 N22 127.27(12) . . ?
N21 Cu6 N22 81.91(9) . . ?
C10 Cu6 Cu7 91.48(9) . 3_647 ?
N21 Cu6 Cu7 85.33(7) . 3_647 ?
N22 Cu6 Cu7 96.18(6) . 3_647 ?
C11 Cu7 N13 174.71(10) . . ?
C11 Cu7 Cu6 94.18(8) . 3_647 ?
N13 Cu7 Cu6 88.15(7) . 3_647 ?
C12 Cu8 N1 131.97(11) . 3_556 ?
C12 Cu8 C1 131.97(11) . 3_556 ?
N1 Cu8 C1 0.0(2) 3_556 3_556 ?
C12 Cu8 N14 116.03(10) . . ?
N1 Cu8 N14 111.99(10) 3_556 . ?
C1 Cu8 N14 111.99(10) 3_556 . ?
C13 N13 N14 106.2(2) . . ?
C13 N13 Cu7 130.42(19) . . ?
N14 N13 Cu7 123.41(17) . . ?
C14 N14 N13 105.0(2) . . ?
C14 N14 Cu8 133.15(18) . . ?
N13 N14 Cu8 121.83(16) . . ?
C13 N15 C14 102.5(2) . . ?
C13 N15 Cu4 127.41(18) . . ?
C14 N15 Cu4 129.43(18) . . ?
C15 N16 N18 105.0(2) . . ?
C15 N16 Cu1 124.87(18) . 3_556 ?
N18 N16 Cu1 128.68(17) . 3_556 ?
C15 N17 C16 102.1(2) . . ?
C15 N17 Cu3 128.92(18) . . ?
C16 N17 Cu3 127.98(19) . . ?
C16 N18 N16 106.0(2) . . ?
C16 N18 Cu1 129.71(18) . . ?
N16 N18 Cu1 123.24(17) . . ?
C17 N19 C28 118.2(3) . . ?
C17 N19 Cu2 129.7(2) . . ?
C28 N19 Cu2 112.09(18) . . ?
C26 N20 C27 117.3(2) . . ?
C26 N20 Cu2 130.1(2) . . ?
C27 N20 Cu2 112.61(18) . . ?
C29 N21 C40 117.5(2) . . ?
C29 N21 Cu6 129.3(2) . . ?
C40 N21 Cu6 113.19(18) . . ?
C38 N22 C39 118.1(3) . . ?
C38 N22 Cu6 130.9(2) . . ?
C39 N22 Cu6 110.73(19) . . ?
C2 C1 Cu8 177.3(2) . 3_556 ?
C1 C2 Cu1 172.4(3) . . ?
C4 C3 Cu2 176.4(2) . . ?
C3 C4 Cu3 165.0(2) . . ?
C6 C5 Cu3 174.2(2) . . ?
C5 C6 Cu4 172.8(2) . . ?
C8 C7 Cu4 176.8(2) . . ?
C7 C8 Cu5 173.0(2) . . ?
C10 C9 Cu5 174.2(3) . . ?
C9 C10 Cu6 175.0(3) . . ?
N12 C11 C12 0.0(3) 3_546 3_546 ?
N12 C11 Cu7 174.7(2) 3_546 . ?
C12 C11 Cu7 174.7(2) 3_546 . ?
N11 C12 C11 0.0(3) 3_546 3_546 ?
N11 C12 Cu8 177.5(3) 3_546 . ?
C11 C12 Cu8 177.5(3) 3_546 . ?
N13 C13 N15 112.8(2) . . ?
N14 C14 N15 113.6(2) . . ?
N16 C15 N17 113.9(2) . . ?
N18 C16 N17 113.1(2) . . ?
N19 C17 C18 122.3(3) . . ?
C19 C18 C17 119.2(3) . . ?
C18 C19 C20 120.5(3) . . ?
C28 C20 C19 116.7(3) . . ?
C28 C20 C21 118.8(3) . . ?
C19 C20 C21 124.5(3) . . ?
C22 C21 C20 121.5(3) . . ?
C21 C22 C23 121.0(3) . . ?
C27 C23 C24 117.4(3) . . ?
C27 C23 C22 118.7(3) . . ?
C24 C23 C22 123.9(3) . . ?
C25 C24 C23 119.2(3) . . ?
C24 C25 C26 119.6(3) . . ?
N20 C26 C25 123.1(3) . . ?
N20 C27 C23 123.3(3) . . ?
N20 C27 C28 116.4(2) . . ?
C23 C27 C28 120.3(3) . . ?
N19 C28 C20 123.0(3) . . ?
N19 C28 C27 117.2(2) . . ?
C20 C28 C27 119.7(3) . . ?
N21 C29 C30 122.7(3) . . ?
C31 C30 C29 119.4(3) . . ?
C30 C31 C32 119.8(3) . . ?
C31 C32 C40 116.8(3) . . ?
C31 C32 C33 123.9(3) . . ?
C40 C32 C33 119.3(3) . . ?
C34 C33 C32 121.3(3) . . ?
C33 C34 C35 121.1(3) . . ?
C39 C35 C36 117.2(3) . . ?
C39 C35 C34 119.1(3) . . ?
C36 C35 C34 123.7(3) . . ?
C37 C36 C35 119.3(3) . . ?
C36 C37 C38 119.2(3) . . ?
N22 C38 C37 122.9(3) . . ?
N22 C39 C35 123.2(3) . . ?
N22 C39 C40 117.2(2) . . ?
C35 C39 C40 119.5(2) . . ?
N21 C40 C32 123.9(3) . . ?
N21 C40 C39 116.5(2) . . ?
C32 C40 C39 119.6(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 C2 1.866(3) . ?
Cu1 N18 1.936(2) . ?
Cu1 N16 2.028(2) 3_556 ?
Cu1 Cu5 2.8722(7) 2_656 ?
Cu2 C3 1.858(3) . ?
Cu2 N20 2.046(2) . ?
Cu2 N19 2.046(2) . ?
Cu3 C5 1.875(3) . ?
Cu3 C4 1.926(2) . ?
Cu3 N17 2.027(2) . ?
Cu4 C7 1.881(3) . ?
Cu4 C6 1.935(2) . ?
Cu4 N15 2.023(2) . ?
Cu5 C9 1.839(2) . ?
Cu5 C8 1.839(2) . ?
Cu5 Cu1 2.8722(7) 2_646 ?
Cu6 C10 1.859(3) . ?
Cu6 N21 2.013(2) . ?
Cu6 N22 2.081(3) . ?
Cu6 Cu7 2.8383(7) 3_647 ?
Cu7 C11 1.841(2) . ?
Cu7 N13 1.868(2) . ?
Cu7 Cu6 2.8383(7) 3_647 ?
Cu8 C12 1.884(3) . ?
Cu8 N1 1.906(2) 3_556 ?
Cu8 C1 1.906(2) 3_556 ?
Cu8 N14 2.011(2) . ?
N13 C13 1.321(3) . ?
N13 N14 1.395(3) . ?
N14 C14 1.316(3) . ?
N15 C13 1.346(3) . ?
N15 C14 1.353(3) . ?
N16 C15 1.324(3) . ?
N16 N18 1.385(3) . ?
N16 Cu1 2.028(2) 3_556 ?
N17 C15 1.343(3) . ?
N17 C16 1.345(3) . ?
N18 C16 1.325(3) . ?
N19 C17 1.329(4) . ?
N19 C28 1.365(4) . ?
N20 C26 1.331(4) . ?
N20 C27 1.364(3) . ?
N21 C29 1.337(4) . ?
N21 C40 1.363(4) . ?
N22 C38 1.328(4) . ?
N22 C39 1.357(3) . ?
C1 C2 1.164(4) . ?
C1 Cu8 1.906(2) 3_556 ?
C3 C4 1.160(4) . ?
C5 C6 1.160(4) . ?
C7 C8 1.162(4) . ?
C9 C10 1.154(4) . ?
C11 N12 1.151(4) 3_546 ?
C11 C12 1.151(4) 3_546 ?
C12 N11 1.151(4) 3_546 ?
C12 C11 1.151(4) 3_546 ?
C17 C18 1.410(4) . ?
C18 C19 1.356(5) . ?
C19 C20 1.407(5) . ?
C20 C28 1.405(4) . ?
C20 C21 1.436(5) . ?
C21 C22 1.352(5) . ?
C22 C23 1.443(4) . ?
C23 C27 1.398(4) . ?
C23 C24 1.405(5) . ?
C24 C25 1.368(5) . ?
C25 C26 1.393(4) . ?
C27 C28 1.443(4) . ?
C29 C30 1.410(4) . ?
C30 C31 1.375(5) . ?
C31 C32 1.409(4) . ?
C32 C40 1.410(4) . ?
C32 C33 1.433(4) . ?
C33 C34 1.350(4) . ?
C34 C35 1.445(4) . ?
C35 C39 1.406(4) . ?
C35 C36 1.407(4) . ?
C36 C37 1.379(4) . ?
C37 C38 1.400(5) . ?
C39 C40 1.452(4) . ?
