#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:35:12 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179797 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/93/7009340.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_7009340
loop_
_publ_author_name
'Lewis, Gareth R.'
'Dance, Ian'
_publ_section_title
;
 Crystal supramolecular motifs for [Ph4P]+ salts of [M(mnt)2]2−,
 [M(mnt)2]−, [{M(mnt)2}2]2−, [M(mnt)3]3− and
 [M(mnt)3]2−
 (mnt2− = maleonitriledithiolate) †
;
_journal_issue                   18
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3176
_journal_paper_doi               10.1039/b000093k
_journal_year                    2000
_chemical_formula_sum            'C56 H40 N4 P2 S4 Zn'
_chemical_formula_weight         1024.47
_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                 110.155(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.5248(7)
_cell_length_b                   16.7568(7)
_cell_length_c                   18.3862(7)
_cell_measurement_reflns_used    75
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.02
_cell_measurement_theta_min      1.74
_cell_volume                     5068.7(5)
_computing_cell_refinement       'local programs'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT+'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_device_type  'Bruker AXS SMART CCD diffractometer'
_diffrn_measurement_method       'ω rotation with narrow frames'
_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  0.0684
_diffrn_reflns_av_sigmaI/netI    0.1448
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            32774
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.24
_exptl_absorpt_coefficient_mu    0.754
_exptl_absorpt_correction_T_max  0.928069
_exptl_absorpt_correction_T_min  0.662828
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.343
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needles
_exptl_crystal_F_000             2112
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.407
_refine_diff_density_min         -0.260
_refine_diff_density_rms         0.044
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.738
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     604
_refine_ls_number_reflns         12030
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.738
_refine_ls_R_factor_all          0.1477
_refine_ls_R_factor_gt           0.0414
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0227P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0640
_refine_ls_wR_factor_ref         0.0793
_reflns_number_gt                4685
_reflns_number_total             12030
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b000093k.txt
_cod_data_source_block           1
_cod_original_cell_volume        5068.7(4)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7009340
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
Zn1 Zn 0.23781(2) 0.40888(2) 0.44227(2) 0.05531(12) Uani 1 1 d . . .
S1 S 0.22457(5) 0.50975(4) 0.35062(5) 0.0555(2) Uani 1 1 d . . .
S2 S 0.21793(5) 0.49426(5) 0.53317(5) 0.0623(2) Uani 1 1 d . . .
S3 S 0.35837(5) 0.33559(5) 0.48328(5) 0.0607(2) Uani 1 1 d . . .
S4 S 0.15828(5) 0.29712(5) 0.38824(5) 0.0648(3) Uani 1 1 d . . .
P1 P 0.48101(5) 0.80912(4) 0.22042(5) 0.0460(2) Uani 1 1 d . . .
P2 P 0.04599(5) -0.06482(5) 0.35735(5) 0.0490(2) Uani 1 1 d . . .
N1 N 0.21565(18) 0.72683(16) 0.34697(17) 0.0862(10) Uani 1 1 d . . .
N2 N 0.21530(19) 0.71023(16) 0.56011(18) 0.0858(10) Uani 1 1 d . . .
N3 N 0.42706(17) 0.14331(16) 0.43638(18) 0.0862(10) Uani 1 1 d . . .
N4 N 0.19650(17) 0.10830(16) 0.30817(18) 0.0778(9) Uani 1 1 d . . .
C1 C 0.21637(16) 0.58885(17) 0.40903(18) 0.0497(8) Uani 1 1 d . . .
C2 C 0.21440(16) 0.58245(16) 0.48229(18) 0.0498(8) Uani 1 1 d . . .
C3 C 0.31932(19) 0.24967(16) 0.43243(17) 0.0490(8) Uani 1 1 d . . .
C4 C 0.23890(19) 0.23422(16) 0.39262(18) 0.0503(8) Uani 1 1 d . . .
C5 C 0.21514(19) 0.6663(2) 0.37502(19) 0.0575(9) Uani 1 1 d . . .
C6 C 0.21390(19) 0.6546(2) 0.52489(19) 0.0597(9) Uani 1 1 d . . .
C7 C 0.3781(2) 0.18966(19) 0.43296(19) 0.0601(9) Uani 1 1 d . . .
C8 C 0.21641(19) 0.16353(19) 0.3465(2) 0.0570(9) Uani 1 1 d . . .
C9 C 0.43712(18) 0.87537(15) 0.27185(18) 0.0452(7) Uani 1 1 d . . .
C10 C 0.47113(18) 0.88232(17) 0.35170(19) 0.0604(9) Uani 1 1 d . . .
H10A H 0.5189 0.8553 0.3783 0.073 Uiso 1 1 calc R . .
C11 C 0.4343(2) 0.92930(19) 0.3919(2) 0.0753(10) Uani 1 1 d . . .
H11A H 0.4566 0.9333 0.4456 0.090 Uiso 1 1 calc R . .
C12 C 0.3637(2) 0.97045(19) 0.3513(2) 0.0752(11) Uani 1 1 d . . .
H12A H 0.3390 1.0026 0.3780 0.090 Uiso 1 1 calc R . .
C13 C 0.3302(2) 0.96438(19) 0.2728(2) 0.0705(10) Uani 1 1 d . . .
H13A H 0.2831 0.9927 0.2464 0.085 Uiso 1 1 calc R . .
C14 C 0.36569(18) 0.91632(17) 0.23191(19) 0.0606(9) Uani 1 1 d . . .
H14A H 0.3421 0.9115 0.1784 0.073 Uiso 1 1 calc R . .
C15 C 0.44492(17) 0.71098(15) 0.22722(16) 0.0452(7) Uani 1 1 d . . .
C16 C 0.48559(18) 0.64470(17) 0.21443(17) 0.0604(9) Uani 1 1 d . . .
H16A H 0.5324 0.6514 0.2022 0.073 Uiso 1 1 calc R . .
C17 C 0.4577(2) 0.56899(18) 0.2196(2) 0.0744(11) Uani 1 1 d . . .
H17A H 0.4859 0.5248 0.2116 0.089 Uiso 1 1 calc R . .
C18 C 0.3878(2) 0.5589(2) 0.2368(2) 0.0748(11) Uani 1 1 d . . .
H18A H 0.3683 0.5078 0.2395 0.090 Uiso 1 1 calc R . .
C19 C 0.34682(19) 0.6236(2) 0.24976(18) 0.0640(9) Uani 1 1 d . . .
H19A H 0.3000 0.6160 0.2619 0.077 Uiso 1 1 calc R . .
C20 C 0.37418(18) 0.70029(17) 0.24505(16) 0.0529(8) Uani 1 1 d . . .
H20A H 0.3459 0.7441 0.2536 0.063 Uiso 1 1 calc R . .
C21 C 0.45251(15) 0.83967(17) 0.12172(17) 0.0453(7) Uani 1 1 d . . .
C22 C 0.43575(16) 0.78321(18) 0.06338(19) 0.0563(8) Uani 1 1 d . . .
H22A H 0.4366 0.7292 0.0754 0.068 Uiso 1 1 calc R . .
C23 C 0.41774(18) 0.8067(2) -0.0127(2) 0.0697(10) Uani 1 1 d . . .
H23A H 0.4069 0.7685 -0.0516 0.084 Uiso 1 1 calc R . .
C24 C 0.41582(18) 0.8861(3) -0.0309(2) 0.0754(11) Uani 1 1 d . . .
H24A H 0.4036 0.9016 -0.0822 0.091 Uiso 1 1 calc R . .
C25 C 0.58946(16) 0.80666(15) 0.26235(17) 0.0455(7) Uani 1 1 d . . .
C26 C 0.43189(18) 0.9427(2) 0.0262(2) 0.0681(10) Uani 1 1 d . . .
H26A H 0.4300 0.9966 0.0135 0.082 Uiso 1 1 calc R . .
C27 C 0.45091(17) 0.91982(18) 0.10248(19) 0.0583(9) Uani 1 1 d . . .
H27A H 0.4627 0.9583 0.1412 0.070 Uiso 1 1 calc R . .
C28 C 0.6277(2) 0.76679(17) 0.33232(19) 0.0612(9) Uani 1 1 d . . .
H28A H 0.5965 0.7412 0.3571 0.073 Uiso 1 1 calc R . .
C29 C 0.7110(2) 0.76509(19) 0.36477(19) 0.0698(10) Uani 1 1 d . . .
H29A H 0.7360 0.7389 0.4116 0.084 Uiso 1 1 calc R . .
C30 C 0.75740(19) 0.80221(19) 0.3279(2) 0.0699(10) Uani 1 1 d . . .
H30A H 0.8138 0.8012 0.3499 0.084 Uiso 1 1 calc R . .
C31 C 0.7211(2) 0.84076(18) 0.2588(2) 0.0631(9) Uani 1 1 d . . .
H31A H 0.7531 0.8652 0.2341 0.076 Uiso 1 1 calc R . .
C32 C 0.63789(19) 0.84367(15) 0.22561(17) 0.0508(8) Uani 1 1 d . . .
H32A H 0.6138 0.8702 0.1788 0.061 Uiso 1 1 calc R . .
C33 C 0.14365(18) -0.04620(19) 0.43094(17) 0.0502(8) Uani 1 1 d . . .
C34 C 0.1981(2) -0.10868(19) 0.45480(19) 0.0673(9) Uani 1 1 d . . .
H34A H 0.1824 -0.1601 0.4369 0.081 Uiso 1 1 calc R . .
C35 C 0.2758(2) -0.0943(2) 0.5053(2) 0.0789(11) Uani 1 1 d . . .
H35A H 0.3123 -0.1364 0.5215 0.095 Uiso 1 1 calc R . .
C36 C 0.2996(2) -0.0200(3) 0.5314(2) 0.0874(13) Uani 1 1 d . . .
H36A H 0.3527 -0.0111 0.5643 0.105 Uiso 1 1 calc R . .
C37 C 0.2464(3) 0.0423(2) 0.5101(2) 0.0833(11) Uani 1 1 d . . .
H37A H 0.2628 0.0932 0.5295 0.100 Uiso 1 1 calc R . .
C38 C 0.1675(2) 0.0296(2) 0.45906(19) 0.0643(9) Uani 1 1 d . . .
H38A H 0.1311 0.0719 0.4441 0.077 Uiso 1 1 calc R . .
C39 C 0.00902(16) -0.15768(16) 0.38065(18) 0.0480(8) Uani 1 1 d . . .
C40 C 0.00698(19) -0.17010(18) 0.45458(19) 0.0668(9) Uani 1 1 d . . .
H40A H 0.0242 -0.1299 0.4915 0.080 Uiso 1 1 calc R . .
C41 C -0.0203(2) -0.2414(2) 0.4737(2) 0.0786(11) Uani 1 1 d . . .
H41A H -0.0222 -0.2489 0.5232 0.094 Uiso 1 1 calc R . .
C42 C -0.0446(2) -0.3012(2) 0.4197(2) 0.0791(11) Uani 1 1 d . . .
H42A H -0.0624 -0.3496 0.4328 0.095 Uiso 1 1 calc R . .
C43 C -0.0427(2) -0.2901(2) 0.3471(2) 0.0813(11) Uani 1 1 d . . .
H43A H -0.0586 -0.3311 0.3109 0.098 Uiso 1 1 calc R . .
C44 C -0.01719(18) -0.2180(2) 0.32702(19) 0.0669(9) Uani 1 1 d . . .
H44A H -0.0178 -0.2102 0.2768 0.080 Uiso 1 1 calc R . .
C45 C 0.05606(17) -0.07169(16) 0.26374(17) 0.0471(8) Uani 1 1 d . . .
C46 C 0.12400(17) -0.10561(17) 0.25502(18) 0.0612(9) Uani 1 1 d . . .
H46A H 0.1665 -0.1231 0.2982 0.073 Uiso 1 1 calc R . .
C47 C 0.1288(2) -0.1135(2) 0.1821(2) 0.0737(10) Uani 1 1 d . . .
H47A H 0.1741 -0.1373 0.1761 0.088 Uiso 1 1 calc R . .
C48 C 0.0672(2) -0.0865(2) 0.1187(2) 0.0717(10) Uani 1 1 d . . .
H48A H 0.0716 -0.0908 0.0698 0.086 Uiso 1 1 calc R . .
C49 C -0.0008(2) -0.0530(2) 0.1262(2) 0.0763(10) Uani 1 1 d . . .
H49A H -0.0429 -0.0352 0.0827 0.092 Uiso 1 1 calc R . .
C50 C -0.00663(18) -0.04584(18) 0.1989(2) 0.0652(9) Uani 1 1 d . . .
H50A H -0.0530 -0.0235 0.2043 0.078 Uiso 1 1 calc R . .
C51 C -0.00856(19) 0.08984(19) 0.32932(17) 0.0621(9) Uani 1 1 d . . .
H51A H 0.0366 0.0975 0.3145 0.075 Uiso 1 1 calc R . .
C52 C -0.02290(17) 0.01512(16) 0.35394(16) 0.0476(8) Uani 1 1 d . . .
C53 C -0.0595(2) 0.15299(19) 0.32628(18) 0.0670(10) Uani 1 1 d . . .
H53A H -0.0486 0.2032 0.3106 0.080 Uiso 1 1 calc R . .
C54 C -0.1278(2) 0.1407(2) 0.34706(18) 0.0643(9) Uani 1 1 d . . .
H54A H -0.1627 0.1830 0.3454 0.077 Uiso 1 1 calc R . .
C55 C -0.14395(19) 0.0671(2) 0.36984(17) 0.0614(9) Uani 1 1 d . . .
H55A H -0.1903 0.0593 0.3827 0.074 Uiso 1 1 calc R . .
C56 C -0.09217(17) 0.00408(18) 0.37396(16) 0.0528(8) Uani 1 1 d . . .
H56A H -0.1033 -0.0458 0.3901 0.063 Uiso 1 1 calc R . .
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 '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
S2 Zn1 S3 115.89(3) . . ?
S2 Zn1 S1 94.08(3) . . ?
S3 Zn1 S1 117.83(3) . . ?
S2 Zn1 S4 125.78(3) . . ?
S3 Zn1 S4 93.24(3) . . ?
S1 Zn1 S4 112.03(3) . . ?
C1 S1 Zn1 96.57(11) . . ?
C2 S2 Zn1 97.07(10) . . ?
C3 S3 Zn1 96.79(11) . . ?
C4 S4 Zn1 96.29(11) . . ?
C15 P1 C21 110.77(14) . . ?
C15 P1 C25 107.38(13) . . ?
C21 P1 C25 109.19(12) . . ?
C15 P1 C9 107.89(12) . . ?
C21 P1 C9 109.76(14) . . ?
C25 P1 C9 111.84(13) . . ?
C52 P2 C45 107.62(14) . . ?
C52 P2 C39 111.28(13) . . ?
C45 P2 C39 109.68(14) . . ?
C52 P2 C33 110.52(14) . . ?
C45 P2 C33 110.42(13) . . ?
C39 P2 C33 107.34(14) . . ?
C2 C1 C5 119.9(3) . . ?
C2 C1 S1 125.8(2) . . ?
C5 C1 S1 114.3(2) . . ?
C1 C2 C6 118.5(3) . . ?
C1 C2 S2 126.2(2) . . ?
C6 C2 S2 115.2(2) . . ?
C4 C3 C7 118.3(3) . . ?
C4 C3 S3 126.2(2) . . ?
C7 C3 S3 115.5(2) . . ?
C3 C4 C8 119.7(3) . . ?
C3 C4 S4 125.4(2) . . ?
C8 C4 S4 114.8(2) . . ?
N1 C5 C1 177.9(3) . . ?
N2 C6 C2 177.9(4) . . ?
N3 C7 C3 177.0(4) . . ?
N4 C8 C4 177.9(4) . . ?
C10 C9 C14 119.8(3) . . ?
C10 C9 P1 120.3(2) . . ?
C14 C9 P1 119.8(2) . . ?
C11 C10 C9 120.3(3) . . ?
C10 C11 C12 119.2(3) . . ?
C13 C12 C11 120.9(3) . . ?
C12 C13 C14 120.5(3) . . ?
C13 C14 C9 119.3(3) . . ?
C16 C15 C20 119.2(3) . . ?
C16 C15 P1 120.9(2) . . ?
C20 C15 P1 120.0(2) . . ?
C17 C16 C15 120.8(3) . . ?
C16 C17 C18 119.7(3) . . ?
C19 C18 C17 120.4(3) . . ?
C18 C19 C20 120.8(3) . . ?
C19 C20 C15 119.2(3) . . ?
C22 C21 C27 119.0(3) . . ?
C22 C21 P1 120.2(2) . . ?
C27 C21 P1 120.8(2) . . ?
C23 C22 C21 120.2(3) . . ?
C24 C23 C22 120.2(3) . . ?
C23 C24 C26 120.2(3) . . ?
C32 C25 C28 118.5(3) . . ?
C32 C25 P1 120.9(2) . . ?
C28 C25 P1 120.6(2) . . ?
C24 C26 C27 120.0(3) . . ?
C26 C27 C21 120.4(3) . . ?
C29 C28 C25 120.7(3) . . ?
C28 C29 C30 119.8(3) . . ?
C31 C30 C29 120.4(3) . . ?
C30 C31 C32 120.8(3) . . ?
C31 C32 C25 119.8(3) . . ?
C38 C33 C34 119.4(3) . . ?
C38 C33 P2 121.7(3) . . ?
C34 C33 P2 118.6(3) . . ?
C35 C34 C33 119.6(3) . . ?
C36 C35 C34 120.9(4) . . ?
C35 C36 C37 120.5(4) . . ?
C36 C37 C38 119.8(4) . . ?
C33 C38 C37 119.6(3) . . ?
C44 C39 C40 118.5(3) . . ?
C44 C39 P2 121.7(2) . . ?
C40 C39 P2 119.8(2) . . ?
C41 C40 C39 120.6(3) . . ?
C42 C41 C40 119.8(3) . . ?
C43 C42 C41 120.3(3) . . ?
C42 C43 C44 120.1(3) . . ?
C39 C44 C43 120.6(3) . . ?
C46 C45 C50 119.4(3) . . ?
C46 C45 P2 120.9(2) . . ?
C50 C45 P2 119.7(2) . . ?
C45 C46 C47 119.8(3) . . ?
C48 C47 C46 120.3(3) . . ?
C47 C48 C49 120.6(3) . . ?
C48 C49 C50 119.5(3) . . ?
C49 C50 C45 120.4(3) . . ?
C53 C51 C52 121.4(3) . . ?
C51 C52 C56 118.6(3) . . ?
C51 C52 P2 119.5(2) . . ?
C56 C52 P2 121.9(2) . . ?
C51 C53 C54 118.9(3) . . ?
C55 C54 C53 120.5(3) . . ?
C54 C55 C56 120.5(3) . . ?
C55 C56 C52 120.0(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
Zn1 S2 2.3158(8) . ?
Zn1 S3 2.3329(9) . ?
Zn1 S1 2.3410(8) . ?
Zn1 S4 2.3414(9) . ?
S1 C1 1.743(3) . ?
S2 C2 1.739(3) . ?
S3 C3 1.725(3) . ?
S4 C4 1.742(3) . ?
P1 C15 1.782(3) . ?
P1 C21 1.783(3) . ?
P1 C25 1.788(3) . ?
P1 C9 1.794(3) . ?
P2 C52 1.790(3) . ?
P2 C45 1.793(3) . ?
P2 C39 1.793(3) . ?
P2 C33 1.806(3) . ?
N1 C5 1.139(3) . ?
N2 C6 1.130(3) . ?
N3 C7 1.143(3) . ?
N4 C8 1.143(3) . ?
C1 C2 1.363(4) . ?
C1 C5 1.438(4) . ?
C2 C6 1.442(4) . ?
C3 C4 1.370(4) . ?
C3 C7 1.437(4) . ?
C4 C8 1.431(4) . ?
C9 C10 1.386(4) . ?
C9 C14 1.394(4) . ?
C10 C11 1.383(4) . ?
C11 C12 1.388(4) . ?
C12 C13 1.361(4) . ?
C13 C14 1.387(4) . ?
C15 C16 1.383(3) . ?
C15 C20 1.399(3) . ?
C16 C17 1.375(4) . ?
C17 C18 1.376(4) . ?
C18 C19 1.365(4) . ?
C19 C20 1.385(3) . ?
C21 C22 1.384(4) . ?
C21 C27 1.387(3) . ?
C22 C23 1.380(4) . ?
C23 C24 1.370(4) . ?
C24 C26 1.371(4) . ?
C25 C32 1.399(3) . ?
C25 C28 1.399(4) . ?
C26 C27 1.379(4) . ?
C28 C29 1.374(4) . ?
C29 C30 1.373(4) . ?
C30 C31 1.371(4) . ?
C31 C32 1.374(4) . ?
C33 C38 1.380(4) . ?
C33 C34 1.382(4) . ?
C34 C35 1.380(4) . ?
C35 C36 1.349(4) . ?
C36 C37 1.364(4) . ?
C37 C38 1.395(4) . ?
C39 C44 1.376(4) . ?
C39 C40 1.388(4) . ?
C40 C41 1.377(4) . ?
C41 C42 1.372(4) . ?
C42 C43 1.360(4) . ?
C43 C44 1.381(4) . ?
C45 C46 1.378(3) . ?
C45 C50 1.383(4) . ?
C46 C47 1.378(4) . ?
C47 C48 1.364(4) . ?
C48 C49 1.368(4) . ?
C49 C50 1.379(4) . ?
C51 C53 1.373(3) . ?
C51 C52 1.384(3) . ?
C52 C56 1.397(3) . ?
C53 C54 1.391(4) . ?
C54 C55 1.364(4) . ?
C55 C56 1.377(3) . ?
