#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:32:37 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179795 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/91/7009194.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_7009194
loop_
_publ_author_name
'Foley, Stephen R.'
'Yap, Glenn P. A.'
'Richeson, Darrin S.'
_publ_section_title
;
 Oxidative addition to M(II) (M = Ge, Sn) amidinate
 complexes: routes to group 14 chalcogenolates with hypervalent
 coordination environments
;
_journal_issue                   10
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1663
_journal_paper_doi               10.1039/a909228e
_journal_year                    2000
_chemical_formula_sum            'C40 H60 Ge N4 Se2'
_chemical_formula_weight         827.43
_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                 94.72(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.953(2)
_cell_length_b                   19.181(4)
_cell_length_c                   18.909(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    163(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     3959.1(14)
_computing_cell_refinement       'Rigaku AFC6S'
_computing_data_collection       'Rigaku AFC6S'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      163(2)
_diffrn_measured_fraction_theta_full 0.952
_diffrn_measured_fraction_theta_max 0.952
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0165
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3879
_diffrn_reflns_theta_full        20.70
_diffrn_reflns_theta_max         20.70
_diffrn_reflns_theta_min         1.51
_exptl_absorpt_coefficient_mu    2.645
_exptl_absorpt_correction_T_max  0.98253
_exptl_absorpt_correction_T_min  0.25631
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'psi-scans method by North'
_exptl_crystal_density_diffrn    1.388
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1712
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.924
_refine_diff_density_min         -0.953
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     400
_refine_ls_number_reflns         3879
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0770
_refine_ls_R_factor_gt           0.0708
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1254P)²+34.1127P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1931
_refine_ls_wR_factor_ref         0.1997
_reflns_number_gt                3490
_reflns_number_total             3879
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            a909228e.txt
_cod_data_source_block           dr135
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        3959(1)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7009194
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
Se1 Se 0.22164(10) 0.21103(6) 1.10085(5) 0.0465(4) Uani 1 1 d . . .
Se2 Se 0.03105(11) 0.31425(6) 0.97601(5) 0.0561(4) Uani 1 1 d . . .
Ge Ge 0.24740(10) 0.27508(6) 0.98975(5) 0.0445(4) Uani 1 1 d . . .
N1 N 0.2293(8) 0.1981(4) 0.9219(4) 0.041(2) Uani 1 1 d . . .
N2 N 0.2454(8) 0.3033(4) 0.8821(4) 0.043(2) Uani 1 1 d . . .
N3 N 0.4362(8) 0.2774(4) 0.9981(4) 0.043(2) Uani 1 1 d . . .
N4 N 0.3238(9) 0.3607(4) 1.0315(4) 0.048(2) Uani 1 1 d . . .
C1 C 0.2567(9) 0.0688(5) 0.9179(5) 0.046(3) Uani 1 1 d . . .
H1A H 0.3331 0.0747 0.9491 0.055 Uiso 1 1 calc R . .
H1B H 0.2784 0.0677 0.8682 0.055 Uiso 1 1 calc R . .
C2 C 0.1945(10) 0.0002(6) 0.9358(6) 0.058(3) Uani 1 1 d . . .
H2A H 0.2482 -0.0392 0.9248 0.070 Uiso 1 1 calc R . .
H2B H 0.1838 -0.0010 0.9873 0.070 Uiso 1 1 calc R . .
C3 C 0.0710(11) -0.0085(6) 0.8947(6) 0.063(3) Uani 1 1 d . . .
H3A H 0.0828 -0.0144 0.8437 0.075 Uiso 1 1 calc R . .
H3B H 0.0312 -0.0512 0.9111 0.075 Uiso 1 1 calc R . .
C4 C -0.0108(10) 0.0526(5) 0.9039(5) 0.053(3) Uani 1 1 d . . .
H4A H -0.0319 0.0546 0.9538 0.064 Uiso 1 1 calc R . .
H4B H -0.0878 0.0466 0.8733 0.064 Uiso 1 1 calc R . .
C5 C 0.0497(10) 0.1211(5) 0.8850(5) 0.049(3) Uani 1 1 d . . .
H5A H 0.0629 0.1214 0.8339 0.059 Uiso 1 1 calc R . .
H5B H -0.0049 0.1606 0.8945 0.059 Uiso 1 1 calc R . .
C6 C 0.1709(9) 0.1299(5) 0.9281(5) 0.044(3) Uani 1 1 d . . .
H6A H 0.1511 0.1269 0.9787 0.052 Uiso 1 1 calc R . .
C7 C 0.3482(12) 0.4137(6) 0.8560(6) 0.067(3) Uani 1 1 d . . .
H7A H 0.4292 0.3909 0.8640 0.080 Uiso 1 1 calc R . .
H7B H 0.3268 0.4334 0.9017 0.080 Uiso 1 1 calc R . .
C8 C 0.3561(13) 0.4719(6) 0.8028(6) 0.073(4) Uani 1 1 d . . .
H8A H 0.4190 0.5059 0.8211 0.088 Uiso 1 1 calc R . .
H8B H 0.3820 0.4525 0.7579 0.088 Uiso 1 1 calc R . .
C9 C 0.2409(17) 0.5071(8) 0.7890(7) 0.098(5) Uani 1 1 d . . .
H9A H 0.2488 0.5432 0.7522 0.117 Uiso 1 1 calc R . .
H9B H 0.2192 0.5307 0.8328 0.117 Uiso 1 1 calc R . .
C10 C 0.1393(14) 0.4567(11) 0.7640(10) 0.136(8) Uani 1 1 d . . .
H10A H 0.1542 0.4386 0.7165 0.163 Uiso 1 1 calc R . .
H10B H 0.0598 0.4816 0.7600 0.163 Uiso 1 1 calc R . .
C11 C 0.1334(13) 0.3954(9) 0.8163(9) 0.116(7) Uani 1 1 d . . .
H11A H 0.1054 0.4129 0.8615 0.139 Uiso 1 1 calc R . .
H11B H 0.0725 0.3610 0.7964 0.139 Uiso 1 1 calc R . .
C12 C 0.2537(10) 0.3601(5) 0.8309(5) 0.047(3) Uani 1 1 d . . .
H12A H 0.2780 0.3397 0.7854 0.057 Uiso 1 1 calc R . .
C13 C 0.2316(9) 0.2374(5) 0.8645(5) 0.045(3) Uani 1 1 d . . .
C14 C 0.2255(12) 0.2108(6) 0.7889(5) 0.066(4) Uani 1 1 d . . .
H14A H 0.2278 0.2503 0.7562 0.099 Uiso 1 1 calc R . .
H14B H 0.1491 0.1847 0.7785 0.099 Uiso 1 1 calc R . .
H14C H 0.2955 0.1801 0.7831 0.099 Uiso 1 1 calc R . .
C15 C 0.5427(13) 0.1730(7) 0.9670(7) 0.075(4) Uani 1 1 d . . .
H15A H 0.4731 0.1602 0.9328 0.090 Uiso 1 1 calc R . .
H15B H 0.5269 0.1529 1.0137 0.090 Uiso 1 1 calc R . .
C16 C 0.6623(11) 0.1401(6) 0.9421(7) 0.070(3) Uani 1 1 d . . .
H16A H 0.7317 0.1488 0.9779 0.084 Uiso 1 1 calc R . .
H16B H 0.6520 0.0890 0.9365 0.084 Uiso 1 1 calc R . .
C17 C 0.6882(13) 0.1730(7) 0.8712(7) 0.079(4) Uani 1 1 d . . .
H17A H 0.7648 0.1535 0.8550 0.095 Uiso 1 1 calc R . .
H17B H 0.6205 0.1622 0.8349 0.095 Uiso 1 1 calc R . .
C18 C 0.7007(15) 0.2513(9) 0.8799(8) 0.100(5) Uani 1 1 d . . .
H18A H 0.7185 0.2730 0.8344 0.120 Uiso 1 1 calc R . .
H18B H 0.7687 0.2624 0.9159 0.120 Uiso 1 1 calc R . .
C19 C 0.5783(12) 0.2797(8) 0.9038(7) 0.088(5) Uani 1 1 d . . .
H19A H 0.5841 0.3309 0.9096 0.105 Uiso 1 1 calc R . .
H19B H 0.5115 0.2696 0.8667 0.105 Uiso 1 1 calc R . .
C20 C 0.5480(12) 0.2469(7) 0.9732(6) 0.073(4) Uani 1 1 d . . .
H20A H 0.6169 0.2583 1.0094 0.088 Uiso 1 1 calc R . .
C21 C 0.2988(15) 0.4118(6) 1.1507(5) 0.081(4) Uani 1 1 d . . .
H21A H 0.3885 0.4150 1.1623 0.097 Uiso 1 1 calc R . .
H21B H 0.2720 0.3654 1.1664 0.097 Uiso 1 1 calc R . .
C22 C 0.2370(16) 0.4674(7) 1.1919(6) 0.090(5) Uani 1 1 d . . .
H22A H 0.1516 0.4524 1.1969 0.108 Uiso 1 1 calc R . .
H22B H 0.2791 0.4697 1.2402 0.108 Uiso 1 1 calc R . .
C23 C 0.2340(16) 0.5364(7) 1.1624(7) 0.092(5) Uani 1 1 d . . .
H23A H 0.3137 0.5591 1.1757 0.110 Uiso 1 1 calc R . .
H23B H 0.1702 0.5635 1.1844 0.110 Uiso 1 1 calc R . .
C24 C 0.2091(12) 0.5405(6) 1.0835(6) 0.068(3) Uani 1 1 d . . .
H24A H 0.2339 0.5872 1.0676 0.081 Uiso 1 1 calc R . .
H24B H 0.1198 0.5359 1.0715 0.081 Uiso 1 1 calc R . .
C25 C 0.2734(13) 0.4864(6) 1.0429(6) 0.070(4) Uani 1 1 d . . .
H25A H 0.2339 0.4843 0.9940 0.084 Uiso 1 1 calc R . .
H25B H 0.3593 0.5013 1.0399 0.084 Uiso 1 1 calc R . .
C26 C 0.2732(14) 0.4168(6) 1.0735(5) 0.072(4) Uani 1 1 d . . .
H26A H 0.1838 0.4054 1.0681 0.087 Uiso 1 1 calc R . .
C27 C 0.4367(11) 0.3392(6) 1.0280(5) 0.051(3) Uani 1 1 d . . .
C28 C 0.5514(12) 0.3784(7) 1.0558(7) 0.078(4) Uani 1 1 d . . .
H28A H 0.5290 0.4253 1.0707 0.117 Uiso 1 1 calc R . .
H28B H 0.6077 0.3818 1.0183 0.117 Uiso 1 1 calc R . .
H28C H 0.5916 0.3532 1.0964 0.117 Uiso 1 1 calc R . .
C29 C 0.4710(8) 0.1975(4) 1.1627(4) 0.062(3) Uani 1 1 d G . .
H29A H 0.4643 0.2456 1.1740 0.074 Uiso 1 1 calc R . .
C30 C 0.5768(6) 0.1609(6) 1.1848(4) 0.076(4) Uani 1 1 d G . .
H30A H 0.6426 0.1840 1.2111 0.091 Uiso 1 1 calc R . .
C31 C 0.5866(6) 0.0906(6) 1.1683(4) 0.089(5) Uani 1 1 d G . .
H31A H 0.6590 0.0656 1.1834 0.107 Uiso 1 1 calc R . .
C32 C 0.4904(9) 0.0569(4) 1.1298(4) 0.081(4) Uani 1 1 d G . .
H32A H 0.4971 0.0089 1.1186 0.097 Uiso 1 1 calc R . .
C33 C 0.3845(7) 0.0935(4) 1.1077(4) 0.062(3) Uani 1 1 d G . .
H33A H 0.3188 0.0704 1.0814 0.074 Uiso 1 1 calc R . .
C34 C 0.3748(5) 0.1638(4) 1.1242(3) 0.045(3) Uani 1 1 d G . .
C35 C -0.0746(7) 0.2223(3) 1.0769(4) 0.056(3) Uani 1 1 d G . .
H35A H -0.0685 0.1874 1.0416 0.067 Uiso 1 1 calc R . .
C36 C -0.1191(8) 0.2053(3) 1.1414(4) 0.076(4) Uani 1 1 d G . .
H36A H -0.1434 0.1588 1.1503 0.092 Uiso 1 1 calc R . .
C37 C -0.1279(8) 0.2563(4) 1.1929(3) 0.077(4) Uani 1 1 d G . .
H37A H -0.1583 0.2447 1.2371 0.092 Uiso 1 1 calc R . .
C38 C -0.0923(7) 0.3244(3) 1.1799(3) 0.066(3) Uani 1 1 d G . .
H38A H -0.0984 0.3592 1.2151 0.079 Uiso 1 1 calc R . .
C39 C -0.0479(7) 0.3414(3) 1.1153(4) 0.053(3) Uani 1 1 d G . .
H39A H -0.0235 0.3879 1.1064 0.064 Uiso 1 1 calc R . .
C40 C -0.0390(6) 0.2904(3) 1.0638(3) 0.048(3) Uani 1 1 d G . .
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'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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
C34 Se1 Ge 105.7(2) . . ?
C40 Se2 Ge 106.3(2) . . ?
N1 Ge N4 154.9(4) . . ?
N1 Ge N3 96.5(3) . . ?
N4 Ge N3 64.1(4) . . ?
N1 Ge N2 64.4(3) . . ?
N4 Ge N2 98.2(3) . . ?
N3 Ge N2 89.9(3) . . ?
N1 Ge C27 127.3(4) . . ?
N4 Ge C27 31.9(4) . . ?
N3 Ge C27 32.1(4) . . ?
N2 Ge C27 95.5(3) . . ?
N1 Ge C13 32.2(3) . . ?
N4 Ge C13 128.3(3) . . ?
N3 Ge C13 94.0(3) . . ?
N2 Ge C13 32.1(3) . . ?
C27 Ge C13 114.7(4) . . ?
N1 Ge Se1 99.8(2) . . ?
N4 Ge Se1 98.5(2) . . ?
N3 Ge Se1 97.5(2) . . ?
N2 Ge Se1 163.3(2) . . ?
C27 Ge Se1 98.7(2) . . ?
C13 Ge Se1 131.8(2) . . ?
N1 Ge Se2 96.6(2) . . ?
N4 Ge Se2 99.2(3) . . ?
N3 Ge Se2 161.0(2) . . ?
N2 Ge Se2 83.5(2) . . ?
C27 Ge Se2 130.7(3) . . ?
C13 Ge Se2 89.8(2) . . ?
Se1 Ge Se2 93.71(6) . . ?
C13 N1 C6 127.8(8) . . ?
C13 N1 Ge 95.8(6) . . ?
C6 N1 Ge 130.0(6) . . ?
C13 N2 C12 124.1(8) . . ?
C13 N2 Ge 89.3(6) . . ?
C12 N2 Ge 146.6(6) . . ?
C27 N3 C20 121.6(10) . . ?
C27 N3 Ge 91.2(7) . . ?
C20 N3 Ge 145.5(8) . . ?
C27 N4 C26 131.0(10) . . ?
C27 N4 Ge 95.0(7) . . ?
C26 N4 Ge 131.0(8) . . ?
C6 C1 C2 110.0(8) . . ?
C3 C2 C1 112.2(9) . . ?
C4 C3 C2 111.8(9) . . ?
C3 C4 C5 111.9(9) . . ?
C6 C5 C4 110.5(8) . . ?
N1 C6 C5 115.3(8) . . ?
N1 C6 C1 113.5(8) . . ?
C5 C6 C1 111.7(8) . . ?
C12 C7 C8 111.7(9) . . ?
C9 C8 C7 111.8(12) . . ?
C8 C9 C10 111.5(13) . . ?
C9 C10 C11 110.8(13) . . ?
C12 C11 C10 112.6(12) . . ?
N2 C12 C11 111.1(9) . . ?
N2 C12 C7 112.1(8) . . ?
C11 C12 C7 108.8(11) . . ?
N2 C13 N1 110.5(8) . . ?
N2 C13 C14 124.0(9) . . ?
N1 C13 C14 125.4(9) . . ?
N2 C13 Ge 58.5(5) . . ?
N1 C13 Ge 52.0(5) . . ?
C14 C13 Ge 177.0(8) . . ?
C20 C15 C16 113.5(11) . . ?
C17 C16 C15 108.5(10) . . ?
C18 C17 C16 109.6(10) . . ?
C17 C18 C19 107.9(13) . . ?
C20 C19 C18 111.3(10) . . ?
C15 C20 N3 113.2(10) . . ?
C15 C20 C19 110.6(12) . . ?
N3 C20 C19 111.1(9) . . ?
C26 C21 C22 114.2(11) . . ?
C23 C22 C21 116.5(11) . . ?
C22 C23 C24 115.7(11) . . ?
C23 C24 C25 114.8(10) . . ?
C26 C25 C24 114.6(10) . . ?
C25 C26 N4 116.3(9) . . ?
C25 C26 C21 116.7(10) . . ?
N4 C26 C21 116.1(10) . . ?
N4 C27 N3 109.6(9) . . ?
N4 C27 C28 125.7(12) . . ?
N3 C27 C28 124.6(12) . . ?
N4 C27 Ge 53.0(5) . . ?
N3 C27 Ge 56.7(5) . . ?
C28 C27 Ge 176.8(8) . . ?
C30 C29 C34 120.0 . . ?
C31 C30 C29 120.0 . . ?
C32 C31 C30 120.0 . . ?
C31 C32 C33 120.0 . . ?
C34 C33 C32 120.0 . . ?
C33 C34 C29 120.0 . . ?
C33 C34 Se1 119.1(5) . . ?
C29 C34 Se1 120.6(5) . . ?
C36 C35 C40 120.0 . . ?
C35 C36 C37 120.0 . . ?
C38 C37 C36 120.0 . . ?
C39 C38 C37 120.0 . . ?
C38 C39 C40 120.0 . . ?
C39 C40 C35 120.0 . . ?
C39 C40 Se2 119.3(4) . . ?
C35 C40 Se2 120.7(4) . . ?
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
Se1 C34 1.926(5) . ?
Se1 Ge 2.4698(14) . ?
Se2 C40 1.940(5) . ?
Se2 Ge 2.4790(17) . ?
Ge N1 1.955(7) . ?
Ge N4 1.978(8) . ?
Ge N3 2.062(9) . ?
Ge N2 2.105(7) . ?
Ge C27 2.467(10) . ?
Ge C13 2.468(9) . ?
N1 C13 1.322(12) . ?
N1 C6 1.466(12) . ?
N2 C13 1.313(12) . ?
N2 C12 1.465(12) . ?
N3 C27 1.313(14) . ?
N3 C20 1.468(14) . ?
N4 C27 1.310(14) . ?
N4 C26 1.472(14) . ?
C1 C6 1.525(14) . ?
C1 C2 1.531(14) . ?
C2 C3 1.513(16) . ?
C3 C4 1.495(15) . ?
C4 C5 1.527(14) . ?
C5 C6 1.508(14) . ?
C7 C12 1.508(15) . ?
C7 C8 1.509(15) . ?
C8 C9 1.436(19) . ?
C9 C10 1.52(2) . ?
C10 C11 1.541(19) . ?
C11 C12 1.486(17) . ?
C13 C14 1.515(14) . ?
C15 C20 1.424(18) . ?
C15 C16 1.561(16) . ?
C16 C17 1.531(17) . ?
C17 C18 1.52(2) . ?
C18 C19 1.548(18) . ?
C19 C20 1.516(15) . ?
C21 C26 1.466(15) . ?
C21 C22 1.513(17) . ?
C22 C23 1.436(18) . ?
C23 C24 1.496(16) . ?
C24 C25 1.499(15) . ?
C25 C26 1.455(16) . ?
C27 C28 1.520(15) . ?
C29 C30 1.3900 . ?
C29 C34 1.3900 . ?
C30 C31 1.3900 . ?
C31 C32 1.3900 . ?
C32 C33 1.3900 . ?
C33 C34 1.3900 . ?
C35 C36 1.3900 . ?
C35 C40 1.3900 . ?
C36 C37 1.3900 . ?
C37 C38 1.3900 . ?
C38 C39 1.3900 . ?
C39 C40 1.3900 . ?
