#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:41:20 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179257 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/77/4317711.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_4317711
loop_
_publ_author_name
'Cristian Saul Campos-Fernández'
'Lisa M. Thomson'
'José Ramón Galán-Mascarós'
'Xiang Ouyang'
'Kim R. Dunbar'
_publ_section_title
;
 Homologous Series of Redox-Active, Dinuclear Cations
 [M2(O2CCH3)2(pynp)2]2+ (M = Mo, Ru, Rh) with the Bridging Ligand
 2-(2-Pyridyl)-1,8-naphthyridine (pynp)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1523
_journal_page_last               1533
_journal_paper_doi               10.1021/ic010996u
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C36 H33 B2 F8 Mo2 N9 O4'
_chemical_formula_weight         1021.21
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 108.06(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.134(5)
_cell_length_b                   14.301(6)
_cell_length_c                   19.990(6)
_cell_measurement_temperature    173(2)
_cell_volume                     4113(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.1456
_diffrn_reflns_av_sigmaI/netI    0.1321
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            7493
_diffrn_reflns_theta_full        24.98
_diffrn_reflns_theta_max         24.98
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    0.697
_exptl_crystal_density_diffrn    1.649
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2040
_refine_diff_density_max         1.797
_refine_diff_density_min         -0.795
_refine_diff_density_rms         0.170
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         7200
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.1545
_refine_ls_R_factor_gt           0.0598
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0856P)²+33.0483P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1690
_refine_ls_wR_factor_ref         0.2064
_reflns_number_gt                4162
_reflns_number_total             7200
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010996u_1.cif
_cod_data_source_block           '[Mo2(O2CCH3)2(pynp)2][BF4]2'
_cod_database_code               4317711
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_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
Mo1 Mo 0.19139(6) 0.26983(5) 0.98994(4) 0.0215(2) Uani 1 1 d . . .
Mo2 Mo 0.05231(5) 0.24147(5) 0.92806(4) 0.0208(2) Uani 1 1 d . . .
F1 F 0.7475(5) 0.0267(5) 0.9824(4) 0.0539(18) Uani 1 1 d . . .
F2 F 0.5911(5) 0.0327(6) 0.9319(5) 0.073(2) Uani 1 1 d . . .
F3 F 0.6858(5) 0.0549(6) 0.8668(4) 0.065(2) Uani 1 1 d . . .
F4 F 0.6801(6) 0.1642(5) 0.9450(5) 0.092(3) Uani 1 1 d . . .
F5 F 0.2587(6) 0.2847(6) 0.6921(4) 0.069(2) Uani 1 1 d . . .
F6 F 0.2907(7) 0.3338(7) 0.8049(5) 0.091(3) Uani 1 1 d . . .
F7 F 0.3128(8) 0.1912(7) 0.7833(5) 0.102(3) Uani 1 1 d . . .
F8 F 0.1711(7) 0.2351(11) 0.7580(5) 0.149(6) Uani 1 1 d . . .
O1 O 0.1816(4) 0.1647(4) 1.0617(3) 0.0243(14) Uani 1 1 d . . .
O2 O 0.0365(4) 0.1341(4) 0.9945(3) 0.0234(14) Uani 1 1 d . . .
O3 O 0.1517(5) 0.3674(4) 1.0529(3) 0.0287(16) Uani 1 1 d . . .
O4 O 0.0046(5) 0.3375(4) 0.9922(3) 0.0278(15) Uani 1 1 d . . .
N1 N 0.2427(5) 0.1586(5) 0.9314(4) 0.0224(17) Uani 1 1 d . . .
N2 N 0.0902(6) 0.1368(5) 0.8636(4) 0.0257(18) Uani 1 1 d . . .
N3 N 0.3579(5) 0.2488(6) 1.0423(4) 0.0305(19) Uani 1 1 d . . .
N4 N -0.1012(6) 0.2678(6) 0.8425(4) 0.0325(19) Uani 1 1 d . . .
N5 N 0.0582(6) 0.3563(5) 0.8530(4) 0.0253(18) Uani 1 1 d . . .
N6 N 0.2106(6) 0.3859(5) 0.9248(4) 0.0285(18) Uani 1 1 d . . .
N7 N 0.5071(9) 0.2544(10) 0.6777(7) 0.081(4) Uani 1 1 d . . .
N8 N 0.5351(14) 0.4417(16) 0.9320(12) 0.147(8) Uani 1 1 d . . .
N9 N 0.2615(12) 0.0944(12) 0.4248(9) 0.109(5) Uani 1 1 d . . .
C1 C 0.1066(6) 0.1181(6) 1.0503(5) 0.022(2) Uani 1 1 d . . .
C2 C 0.0632(8) 0.3778(6) 1.0416(6) 0.030(2) Uani 1 1 d . . .
C3 C 0.0337(8) 0.4432(8) 1.0903(6) 0.043(3) Uani 1 1 d . . .
H3A H -0.0329 0.4451 1.0770 0.064 Uiso 1 1 calc R . .
H3B H 0.0571 0.5049 1.0869 0.064 Uiso 1 1 calc R . .
H3C H 0.0582 0.4212 1.1379 0.064 Uiso 1 1 calc R . .
C4 C 0.3330(7) 0.1346(7) 0.9496(5) 0.026(2) Uani 1 1 d . . .
C5 C 0.3663(8) 0.0618(7) 0.9166(6) 0.035(2) Uani 1 1 d . . .
H5A H 0.4295 0.0481 0.9302 0.042 Uiso 1 1 calc R . .
C6 C 0.3046(7) 0.0111(7) 0.8641(6) 0.032(2) Uani 1 1 d . . .
H6A H 0.3249 -0.0384 0.8425 0.038 Uiso 1 1 calc R . .
C7 C 0.2089(7) 0.0362(6) 0.8435(5) 0.027(2) Uani 1 1 d . . .
C8 C 0.1812(7) 0.1089(6) 0.8799(5) 0.027(2) Uani 1 1 d . . .
C9 C 0.1399(8) -0.0109(7) 0.7888(6) 0.037(3) Uani 1 1 d . . .
H9C H 0.1558 -0.0612 0.7653 0.045 Uiso 1 1 calc R . .
C10 C 0.0497(8) 0.0195(7) 0.7716(6) 0.038(3) Uani 1 1 d . . .
H10A H 0.0040 -0.0070 0.7340 0.046 Uiso 1 1 calc R . .
C11 C 0.0276(7) 0.0908(6) 0.8114(5) 0.027(2) Uani 1 1 d . . .
H11A H -0.0346 0.1077 0.8010 0.032 Uiso 1 1 calc R . .
C12 C 0.3989(7) 0.1896(7) 1.0082(6) 0.034(2) Uani 1 1 d . . .
C13 C 0.4943(7) 0.1803(8) 1.0254(6) 0.043(3) Uani 1 1 d . . .
H13A H 0.5204 0.1405 0.9998 0.052 Uiso 1 1 calc R . .
C14 C 0.5507(8) 0.2321(9) 1.0820(7) 0.052(3) Uani 1 1 d . . .
H14A H 0.6151 0.2269 1.0954 0.063 Uiso 1 1 calc R . .
C15 C 0.5078(8) 0.2920(9) 1.1179(7) 0.050(3) Uani 1 1 d . . .
H15A H 0.5432 0.3277 1.1555 0.060 Uiso 1 1 calc R . .
C16 C 0.4143(8) 0.2970(8) 1.0969(6) 0.043(3) Uani 1 1 d . . .
H16A H 0.3868 0.3363 1.1218 0.052 Uiso 1 1 calc R . .
C17 C 0.0993(7) 0.0439(7) 1.1006(6) 0.036(2) Uani 1 1 d . . .
H17A H 0.1565 0.0405 1.1386 0.054 Uiso 1 1 calc R . .
H17B H 0.0874 -0.0152 1.0767 0.054 Uiso 1 1 calc R . .
H17C H 0.0493 0.0586 1.1188 0.054 Uiso 1 1 calc R . .
C18 C 0.1376(7) 0.4109(6) 0.8657(5) 0.025(2) Uani 1 1 d . . .
C19 C 0.1423(9) 0.4871(7) 0.8231(6) 0.037(3) Uani 1 1 d . . .
C20 C 0.2257(9) 0.5404(8) 0.8415(7) 0.047(3) Uani 1 1 d . . .
H20A H 0.2309 0.5923 0.8149 0.057 Uiso 1 1 calc R . .
C21 C 0.2972(9) 0.5151(8) 0.8979(7) 0.051(3) Uani 1 1 d . . .
H21A H 0.3523 0.5491 0.9106 0.062 Uiso 1 1 calc R . .
C22 C 0.2872(7) 0.4361(7) 0.9377(6) 0.034(2) Uani 1 1 d . . .
H22A H 0.3380 0.4184 0.9754 0.041 Uiso 1 1 calc R . .
C23 C 0.0658(9) 0.5063(8) 0.7651(6) 0.044(3) Uani 1 1 d . . .
H23A H 0.0678 0.5562 0.7358 0.053 Uiso 1 1 calc R . .
C24 C -0.0120(8) 0.4528(7) 0.7509(6) 0.039(3) Uani 1 1 d . . .
H24A H -0.0629 0.4657 0.7118 0.047 Uiso 1 1 calc R . .
C25 C -0.0152(7) 0.3768(7) 0.7960(5) 0.034(2) Uani 1 1 d . . .
C26 C -0.1013(7) 0.3201(7) 0.7856(5) 0.030(2) Uani 1 1 d . . .
C27 C -0.1747(8) 0.3212(8) 0.7252(6) 0.041(3) Uani 1 1 d . . .
H27A H -0.1734 0.3588 0.6875 0.049 Uiso 1 1 calc R . .
C28 C -0.2510(8) 0.2654(9) 0.7208(6) 0.051(3) Uani 1 1 d . . .
H28A H -0.3012 0.2635 0.6798 0.062 Uiso 1 1 calc R . .
C29 C -0.2514(8) 0.2135(8) 0.7774(6) 0.046(3) Uani 1 1 d . . .
H29A H -0.3023 0.1763 0.7759 0.055 Uiso 1 1 calc R . .
C30 C -0.1762(7) 0.2165(8) 0.8366(6) 0.039(3) Uani 1 1 d . . .
H30A H -0.1777 0.1804 0.8750 0.046 Uiso 1 1 calc R . .
C31 C 0.4439(10) 0.2728(9) 0.6322(8) 0.054(3) Uani 1 1 d . . .
C32 C 0.3626(11) 0.3000(13) 0.5711(8) 0.083(5) Uani 1 1 d . . .
H32A H 0.3745 0.3593 0.5531 0.124 Uiso 1 1 calc R . .
H32B H 0.3082 0.3046 0.5859 0.124 Uiso 1 1 calc R . .
H32C H 0.3527 0.2535 0.5348 0.124 Uiso 1 1 calc R . .
C33 C 0.5254(13) 0.3778(13) 0.8995(10) 0.085(5) Uani 1 1 d . . .
C34 C 0.5128(11) 0.2961(12) 0.8544(10) 0.092(6) Uani 1 1 d . . .
H34A H 0.4849 0.3146 0.8063 0.139 Uiso 1 1 calc R . .
H34B H 0.4730 0.2521 0.8673 0.139 Uiso 1 1 calc R . .
H34C H 0.5720 0.2677 0.8597 0.139 Uiso 1 1 calc R . .
C35 C 0.2164(14) 0.0439(14) 0.3576(12) 0.096(7) Uani 1 1 d . . .
C36 C 0.1861(13) 0.0020(17) 0.3081(11) 0.106(8) Uani 1 1 d . . .
H36A H 0.1325 0.0336 0.2781 0.158 Uiso 1 1 calc R . .
H36B H 0.1684 -0.0587 0.3200 0.158 Uiso 1 1 calc R . .
H36C H 0.2317 -0.0047 0.2841 0.158 Uiso 1 1 calc R . .
B1 B 0.2519(10) 0.2680(8) 0.7580(6) 0.039(3) Uani 1 1 d . . .
B2 B 0.6756(9) 0.0700(10) 0.9322(8) 0.046(3) 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'
O O 0.0106 0.0060 '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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 '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
O3 Mo1 O1 88.4(2) . . ?
O3 Mo1 Mo2 93.5(2) . . ?
O1 Mo1 Mo2 89.66(17) . . ?
O3 Mo1 N6 88.1(3) . . ?
O1 Mo1 N6 174.3(3) . . ?
Mo2 Mo1 N6 95.1(2) . . ?
O3 Mo1 N1 174.7(3) . . ?
O1 Mo1 N1 87.6(3) . . ?
Mo2 Mo1 N1 90.1(2) . . ?
N6 Mo1 N1 95.5(3) . . ?
O3 Mo1 N3 106.1(3) . . ?
O1 Mo1 N3 84.3(3) . . ?
Mo2 Mo1 N3 159.33(19) . . ?
N6 Mo1 N3 92.2(3) . . ?
N1 Mo1 N3 69.9(3) . . ?
O2 Mo2 Mo1 93.33(18) . . ?
O2 Mo2 O4 88.0(2) . . ?
Mo1 Mo2 O4 89.20(19) . . ?
O2 Mo2 N2 88.5(3) . . ?
Mo1 Mo2 N2 94.7(2) . . ?
O4 Mo2 N2 174.9(3) . . ?
O2 Mo2 N5 175.9(3) . . ?
Mo1 Mo2 N5 90.7(2) . . ?
O4 Mo2 N5 91.2(3) . . ?
N2 Mo2 N5 92.0(3) . . ?
O2 Mo2 N4 106.6(3) . . ?
Mo1 Mo2 N4 158.7(2) . . ?
O4 Mo2 N4 84.1(3) . . ?
N2 Mo2 N4 93.4(3) . . ?
N5 Mo2 N4 69.3(3) . . ?
C1 O1 Mo1 119.8(6) . . ?
C1 O2 Mo2 116.8(5) . . ?
C2 O3 Mo1 116.5(6) . . ?
C2 O4 Mo2 118.7(6) . . ?
C4 N1 C8 118.3(8) . . ?
C4 N1 Mo1 121.6(6) . . ?
C8 N1 Mo1 119.9(6) . . ?
C11 N2 C8 117.1(8) . . ?
C11 N2 Mo2 123.2(7) . . ?
C8 N2 Mo2 119.4(6) . . ?
C16 N3 C12 117.0(9) . . ?
C16 N3 Mo1 126.7(7) . . ?
C12 N3 Mo1 116.0(6) . . ?
C30 N4 C26 116.8(9) . . ?
C30 N4 Mo2 125.3(7) . . ?
C26 N4 Mo2 115.1(6) . . ?
C25 N5 C18 117.9(8) . . ?
C25 N5 Mo2 122.0(6) . . ?
C18 N5 Mo2 120.1(6) . . ?
C22 N6 C18 116.3(9) . . ?
C22 N6 Mo1 124.7(7) . . ?
C18 N6 Mo1 119.0(6) . . ?
O1 C1 O2 120.3(8) . . ?
O1 C1 C17 120.1(9) . . ?
O2 C1 C17 119.6(8) . . ?
O4 C2 O3 121.9(9) . . ?
O4 C2 C3 121.1(10) . . ?
O3 C2 C3 117.0(9) . . ?
N1 C4 C5 122.9(9) . . ?
N1 C4 C12 116.8(8) . . ?
C5 C4 C12 120.4(9) . . ?
C6 C5 C4 119.4(10) . . ?
C5 C6 C7 118.5(9) . . ?
C8 C7 C6 118.4(9) . . ?
C8 C7 C9 118.9(9) . . ?
C6 C7 C9 122.7(9) . . ?
N1 C8 N2 115.5(8) . . ?
N1 C8 C7 122.4(9) . . ?
N2 C8 C7 122.0(9) . . ?
C10 C9 C7 118.5(9) . . ?
C9 C10 C11 119.0(10) . . ?
N2 C11 C10 124.3(9) . . ?
N3 C12 C13 122.9(10) . . ?
N3 C12 C4 115.0(9) . . ?
C13 C12 C4 122.1(10) . . ?
C12 C13 C14 118.5(11) . . ?
C15 C14 C13 118.4(10) . . ?
C16 C15 C14 118.8(10) . . ?
C15 C16 N3 124.4(11) . . ?
N5 C18 N6 115.1(8) . . ?
N5 C18 C19 122.2(10) . . ?
N6 C18 C19 122.7(9) . . ?
C23 C19 C18 118.4(11) . . ?
C23 C19 C20 123.5(10) . . ?
C18 C19 C20 118.0(11) . . ?
C21 C20 C19 119.3(10) . . ?
C20 C21 C22 119.1(11) . . ?
N6 C22 C21 124.4(11) . . ?
C24 C23 C19 120.5(10) . . ?
C23 C24 C25 119.7(11) . . ?
N5 C25 C24 121.3(10) . . ?
N5 C25 C26 116.8(8) . . ?
C24 C25 C26 121.8(10) . . ?
N4 C26 C27 122.5(10) . . ?
N4 C26 C25 114.1(9) . . ?
C27 C26 C25 123.5(9) . . ?
C26 C27 C28 118.9(10) . . ?
C29 C28 C27 118.9(11) . . ?
C28 C29 C30 119.3(11) . . ?
N4 C30 C29 123.7(10) . . ?
N7 C31 C32 177.7(16) . . ?
N8 C33 C34 178(2) . . ?
C36 C35 N9 176(2) . . ?
F8 B1 F6 117.5(12) . . ?
F8 B1 F5 114.3(11) . . ?
F6 B1 F5 113.8(10) . . ?
F8 B1 F7 103.0(11) . . ?
F6 B1 F7 101.5(11) . . ?
F5 B1 F7 104.0(10) . . ?
F4 B2 F1 108.9(11) . . ?
F4 B2 F3 108.5(12) . . ?
F1 B2 F3 109.0(10) . . ?
F4 B2 F2 111.9(11) . . ?
F1 B2 F2 110.6(11) . . ?
F3 B2 F2 108.0(11) . . ?
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
Mo1 O3 2.088(6) . ?
Mo1 O1 2.114(6) . ?
Mo1 Mo2 2.1239(14) . ?
Mo1 N6 2.184(8) . ?
Mo1 N1 2.251(7) . ?
Mo1 N3 2.429(8) . ?
Mo2 O2 2.092(6) . ?
Mo2 O4 2.150(6) . ?
Mo2 N2 2.165(8) . ?
Mo2 N5 2.245(7) . ?
Mo2 N4 2.450(8) . ?
F1 B2 1.378(15) . ?
F2 B2 1.384(15) . ?
F3 B2 1.381(16) . ?
F4 B2 1.369(16) . ?
F5 B1 1.374(13) . ?
F6 B1 1.330(14) . ?
F7 B1 1.422(16) . ?
F8 B1 1.311(16) . ?
O1 C1 1.275(11) . ?
O2 C1 1.299(11) . ?
O3 C2 1.296(12) . ?
O4 C2 1.246(12) . ?
N1 C4 1.345(12) . ?
N1 C8 1.355(12) . ?
N2 C11 1.344(12) . ?
N2 C8 1.373(12) . ?
N3 C16 1.349(13) . ?
N3 C12 1.351(12) . ?
N4 C30 1.327(13) . ?
N4 C26 1.360(12) . ?
N5 C25 1.354(13) . ?
N5 C18 1.389(12) . ?
N6 C22 1.319(13) . ?
N6 C18 1.392(12) . ?
N7 C31 1.128(17) . ?
N8 C33 1.10(2) . ?
N9 C35 1.49(3) . ?
C1 C17 1.488(13) . ?
C2 C3 1.514(13) . ?
C4 C5 1.407(13) . ?
C4 C12 1.503(14) . ?
C5 C6 1.376(15) . ?
C6 C7 1.424(14) . ?
C7 C8 1.406(13) . ?
C7 C9 1.425(14) . ?
C9 C10 1.371(15) . ?
C10 C11 1.397(14) . ?
C12 C13 1.383(15) . ?
C13 C14 1.400(16) . ?
C14 C15 1.399(17) . ?
C15 C16 1.348(16) . ?
C18 C19 1.397(13) . ?
C19 C23 1.389(16) . ?
C19 C20 1.422(17) . ?
C20 C21 1.348(18) . ?
C21 C22 1.416(15) . ?
C23 C24 1.358(16) . ?
C24 C25 1.422(14) . ?
C25 C26 1.495(15) . ?
C26 C27 1.364(14) . ?
C27 C28 1.385(16) . ?
C28 C29 1.354(16) . ?
C29 C30 1.364(15) . ?
C31 C32 1.492(19) . ?
C33 C34 1.45(2) . ?
C35 C36 1.13(3) . ?
