#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:41:20 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179257 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/77/4317705.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_4317705
loop_
_publ_author_name
'Gerd W. Rabe'
'Christian D. Bérubé'
'Glenn P. A. Yap'
'Kin-Chung Lam'
'Thomas E. Concolino'
'Arnold L. Rheingold'
_publ_section_title
;
 Synthesis and Structural Characterization of 2,6-Dimesitylphenyl
 Complexes of Scandium, Ytterbium, and Yttrium
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1446
_journal_page_last               1453
_journal_paper_doi               10.1021/ic0109492
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C40 H58 Cl2 Li O4 Yb'
_chemical_formula_weight         853.74
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.7353(6)
_cell_angle_beta                 102.8964(6)
_cell_angle_gamma                94.8058(5)
_cell_formula_units_Z            2
_cell_length_a                   10.2252(2)
_cell_length_b                   11.3497(2)
_cell_length_c                   18.5814(2)
_cell_measurement_temperature    193(2)
_cell_volume                     2062.09(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_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      193(2)
_diffrn_measured_fraction_theta_full 0.796
_diffrn_measured_fraction_theta_max 0.796
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0301
_diffrn_reflns_av_sigmaI/netI    0.0349
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            12419
_diffrn_reflns_theta_full        28.51
_diffrn_reflns_theta_max         28.51
_diffrn_reflns_theta_min         1.14
_exptl_absorpt_coefficient_mu    2.433
_exptl_absorpt_correction_T_max  0.5289
_exptl_absorpt_correction_T_min  0.4428
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.375
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             874
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.390
_refine_diff_density_min         -1.469
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.952
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         8348
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.952
_refine_ls_R_factor_all          0.0531
_refine_ls_R_factor_gt           0.0456
_refine_ls_shift/su_max          0.211
_refine_ls_shift/su_mean         0.037
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1739
_refine_ls_wR_factor_ref         0.2040
_reflns_number_gt                7651
_reflns_number_total             8348
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0109492_4.cif
_cod_data_source_block           rab20
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Empirical'
changed to 'empirical' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        2062.09(5)
_cod_database_code               4317705
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Yb1 Yb 0.56459(2) 0.808781(18) 0.741380(13) 0.03086(14) Uani 1 1 d . . .
Li1 Li 0.7218(14) 0.9197(13) 0.9290(8) 0.050(3) Uani 1 1 d . . .
Cl1 Cl 0.80523(18) 0.82350(19) 0.83082(11) 0.0501(4) Uani 1 1 d . . .
Cl2 Cl 0.4948(2) 0.8697(2) 0.86657(13) 0.0589(6) Uani 1 1 d . . .
O1 O 0.5462(5) 0.9625(4) 0.7060(3) 0.0436(11) Uani 1 1 d . . .
O2 O 0.6719(5) 0.7577(5) 0.6458(3) 0.0371(10) Uani 1 1 d . . .
O3 O 0.7678(8) 0.8473(6) 1.0158(4) 0.0702(18) Uani 1 1 d . . .
O4 O 0.7634(7) 1.0886(6) 0.9636(4) 0.0703(19) Uani 1 1 d . . .
C1 C 0.3819(6) 0.6491(5) 0.6830(4) 0.0330(12) Uani 1 1 d . . .
C2 C 0.4100(7) 0.5315(6) 0.6857(5) 0.0400(15) Uani 1 1 d . . .
C3 C 0.3147(9) 0.4309(6) 0.6525(6) 0.059(2) Uani 1 1 d . . .
H3A H 0.3386 0.3520 0.6540 0.071 Uiso 1 1 calc R . .
C4 C 0.1846(9) 0.4487(8) 0.6173(7) 0.069(3) Uani 1 1 d . . .
H4A H 0.1185 0.3817 0.5948 0.083 Uiso 1 1 calc R . .
C5 C 0.1518(8) 0.5641(7) 0.6152(6) 0.056(2) Uani 1 1 d . . .
H5A H 0.0630 0.5766 0.5912 0.067 Uiso 1 1 calc R . .
C6 C 0.2483(7) 0.6606(6) 0.6480(4) 0.0388(14) Uani 1 1 d . . .
C7 C 0.5514(7) 0.5075(5) 0.7214(4) 0.0393(15) Uani 1 1 d . . .
C8 C 0.5860(10) 0.5091(7) 0.7992(5) 0.0501(19) Uani 1 1 d . . .
C9 C 0.7184(12) 0.4897(8) 0.8305(6) 0.066(3) Uani 1 1 d . . .
H9A H 0.7441 0.4909 0.8830 0.079 Uiso 1 1 calc R . .
C10 C 0.8131(11) 0.4692(8) 0.7897(8) 0.072(3) Uani 1 1 d . . .
C11 C 0.7724(9) 0.4618(6) 0.7140(7) 0.061(3) Uani 1 1 d . . .
H11A H 0.8359 0.4440 0.6848 0.074 Uiso 1 1 calc R . .
C12 C 0.6422(8) 0.4791(6) 0.6769(5) 0.0461(17) Uani 1 1 d . . .
C13 C 0.4867(13) 0.5234(9) 0.8445(6) 0.070(3) Uani 1 1 d . . .
H13A H 0.4003 0.5357 0.8128 0.104 Uiso 1 1 calc R . .
H13B H 0.5187 0.5930 0.8849 0.104 Uiso 1 1 calc R . .
H13C H 0.4744 0.4510 0.8663 0.104 Uiso 1 1 calc R . .
C14 C 0.9556(11) 0.4519(11) 0.8264(9) 0.100(5) Uani 1 1 d . . .
H14A H 1.0072 0.4374 0.7880 0.150 Uiso 1 1 calc R . .
H14B H 0.9539 0.3829 0.8522 0.150 Uiso 1 1 calc R . .
H14C H 0.9984 0.5242 0.8627 0.150 Uiso 1 1 calc R . .
C15 C 0.6042(10) 0.4661(8) 0.5954(5) 0.057(2) Uani 1 1 d . . .
H15A H 0.5099 0.4808 0.5793 0.085 Uiso 1 1 calc R . .
H15B H 0.6144 0.3846 0.5729 0.085 Uiso 1 1 calc R . .
H15C H 0.6628 0.5243 0.5792 0.085 Uiso 1 1 calc R . .
C16 C 0.2027(6) 0.7828(5) 0.6465(4) 0.0370(14) Uani 1 1 d . . .
C17 C 0.2004(6) 0.8382(7) 0.5834(5) 0.0430(16) Uani 1 1 d . . .
C18 C 0.1539(7) 0.9492(8) 0.5821(5) 0.0513(19) Uani 1 1 d . . .
H18A H 0.1510 0.9856 0.5391 0.062 Uiso 1 1 calc R . .
C19 C 0.1119(7) 1.0078(6) 0.6417(5) 0.051(2) Uani 1 1 d . . .
C20 C 0.1123(8) 0.9538(7) 0.7019(6) 0.055(2) Uani 1 1 d . . .
H20A H 0.0819 0.9940 0.7426 0.065 Uiso 1 1 calc R . .
C21 C 0.1559(6) 0.8404(6) 0.7062(4) 0.0370(14) Uani 1 1 d . . .
C22 C 0.2378(10) 0.7738(10) 0.5143(6) 0.067(2) Uani 1 1 d . . .
H22A H 0.2671 0.6963 0.5238 0.100 Uiso 1 1 calc R . .
H22B H 0.3115 0.8230 0.5030 0.100 Uiso 1 1 calc R . .
H22C H 0.1590 0.7603 0.4716 0.100 Uiso 1 1 calc R . .
C23 C 0.0634(11) 1.1280(8) 0.6394(8) 0.079(3) Uani 1 1 d . . .
H23A H 0.0366 1.1556 0.6860 0.118 Uiso 1 1 calc R . .
H23B H -0.0144 1.1217 0.5967 0.118 Uiso 1 1 calc R . .
H23C H 0.1362 1.1855 0.6341 0.118 Uiso 1 1 calc R . .
C24 C 0.1483(8) 0.7780(8) 0.7722(5) 0.0524(19) Uani 1 1 d . . .
H24A H 0.1157 0.8311 0.8094 0.079 Uiso 1 1 calc R . .
H24B H 0.2383 0.7591 0.7952 0.079 Uiso 1 1 calc R . .
H24C H 0.0858 0.7036 0.7547 0.079 Uiso 1 1 calc R . .
C25 C 0.5718(9) 1.0867(7) 0.7064(6) 0.054(2) Uani 1 1 d . . .
C26 C 0.7186(12) 1.1205(10) 0.7404(11) 0.117(7) Uani 1 1 d . . .
H26A H 0.7704 1.0763 0.7093 0.175 Uiso 1 1 calc R . .
H26B H 0.7405 1.1006 0.7908 0.175 Uiso 1 1 calc R . .
H26C H 0.7416 1.2070 0.7434 0.175 Uiso 1 1 calc R . .
C27 C 0.5319(17) 1.1079(10) 0.6286(9) 0.095(4) Uani 1 1 d . . .
H27A H 0.5857 1.0645 0.5983 0.142 Uiso 1 1 calc R . .
H27B H 0.5478 1.1941 0.6280 0.142 Uiso 1 1 calc R . .
H27C H 0.4358 1.0792 0.6078 0.142 Uiso 1 1 calc R . .
C28 C 0.4862(17) 1.1511(10) 0.7509(9) 0.096(4) Uani 1 1 d . . .
H28A H 0.3905 1.1240 0.7274 0.144 Uiso 1 1 calc R . .
H28B H 0.5042 1.2378 0.7525 0.144 Uiso 1 1 calc R . .
H28C H 0.5076 1.1339 0.8021 0.144 Uiso 1 1 calc R . .
C29 C 0.8144(7) 0.7522(8) 0.6513(5) 0.0479(18) Uani 1 1 d . . .
H29A H 0.8429 0.6796 0.6709 0.058 Uiso 1 1 calc R . .
H29B H 0.8689 0.8241 0.6849 0.058 Uiso 1 1 calc R . .
C30 C 0.8302(8) 0.7477(9) 0.5724(5) 0.057(2) Uani 1 1 d . . .
H30A H 0.9206 0.7862 0.5721 0.069 Uiso 1 1 calc R . .
H30B H 0.8176 0.6638 0.5455 0.069 Uiso 1 1 calc R . .
C31 C 0.7218(10) 0.8158(10) 0.5379(6) 0.064(2) Uani 1 1 d . . .
H31A H 0.6959 0.7916 0.4827 0.077 Uiso 1 1 calc R . .
H31B H 0.7505 0.9034 0.5508 0.077 Uiso 1 1 calc R . .
C32 C 0.6076(8) 0.7808(8) 0.5724(5) 0.0478(17) Uani 1 1 d . . .
H32A H 0.5507 0.8467 0.5768 0.057 Uiso 1 1 calc R . .
H32B H 0.5503 0.7080 0.5416 0.057 Uiso 1 1 calc R . .
C33 C 0.740(2) 0.7216(11) 1.0064(7) 0.109(6) Uani 1 1 d . . .
H33A H 0.6576 0.6937 0.9658 0.131 Uiso 1 1 calc R . .
H33B H 0.8161 0.6840 0.9912 0.131 Uiso 1 1 calc R . .
C34 C 0.722(3) 0.6857(19) 1.0714(12) 0.145(8) Uani 1 1 d . . .
H34A H 0.7688 0.6147 1.0808 0.174 Uiso 1 1 calc R . .
H34B H 0.6248 0.6665 1.0692 0.174 Uiso 1 1 calc R . .
C35 C 0.785(3) 0.7953(17) 1.1312(8) 0.141(9) Uani 1 1 d . . .
H35A H 0.7345 0.8050 1.1710 0.169 Uiso 1 1 calc R . .
H35B H 0.8805 0.7882 1.1544 0.169 Uiso 1 1 calc R . .
C36 C 0.7756(15) 0.8966(12) 1.0907(6) 0.083(3) Uani 1 1 d . . .
H36A H 0.6940 0.9357 1.0950 0.099 Uiso 1 1 calc R . .
H36B H 0.8563 0.9570 1.1108 0.099 Uiso 1 1 calc R . .
C37 C 0.8924(13) 1.1575(14) 0.9814(11) 0.127(7) Uani 1 1 d . . .
H37A H 0.9296 1.1528 0.9364 0.153 Uiso 1 1 calc R . .
H37B H 0.9556 1.1262 1.0206 0.153 Uiso 1 1 calc R . .
C38 C 0.876(2) 1.2816(14) 1.0086(13) 0.139(7) Uani 1 1 d . . .
H38A H 0.9343 1.3094 1.0596 0.166 Uiso 1 1 calc R . .
H38B H 0.9021 1.3345 0.9750 0.166 Uiso 1 1 calc R . .
C39 C 0.737(2) 1.2856(13) 1.0095(13) 0.127(6) Uani 1 1 d . . .
H39A H 0.6970 1.3420 0.9776 0.152 Uiso 1 1 calc R . .
H39B H 0.7282 1.3122 1.0613 0.152 Uiso 1 1 calc R . .
C40 C 0.6713(13) 1.1655(13) 0.9808(9) 0.101(5) Uani 1 1 d . . .
H40A H 0.6283 1.1365 1.0186 0.121 Uiso 1 1 calc R . .
H40B H 0.5995 1.1654 0.9352 0.121 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'
Li Li -0.0003 0.0001 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.3850 5.5486 '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
O1 Yb1 O2 86.5(2) . . ?
O1 Yb1 C1 115.7(2) . . ?
O2 Yb1 C1 90.55(19) . . ?
O1 Yb1 Cl2 97.08(16) . . ?
O2 Yb1 Cl2 167.97(14) . . ?
C1 Yb1 Cl2 98.17(15) . . ?
O1 Yb1 Cl1 108.28(16) . . ?
O2 Yb1 Cl1 85.14(13) . . ?
C1 Yb1 Cl1 135.45(16) . . ?
Cl2 Yb1 Cl1 82.84(7) . . ?
O1 Yb1 Li1 98.6(3) . . ?
O2 Yb1 Li1 126.2(3) . . ?
C1 Yb1 Li1 131.6(3) . . ?
Cl2 Yb1 Li1 42.0(3) . . ?
Cl1 Yb1 Li1 42.3(3) . . ?
O3 Li1 O4 105.9(7) . . ?
O3 Li1 Cl2 112.3(7) . . ?
O4 Li1 Cl2 111.0(8) . . ?
O3 Li1 Cl1 111.2(7) . . ?
O4 Li1 Cl1 121.2(8) . . ?
Cl2 Li1 Cl1 95.1(4) . . ?
O3 Li1 Yb1 133.7(6) . . ?
O4 Li1 Yb1 120.1(7) . . ?
Cl2 Li1 Yb1 48.1(2) . . ?
Cl1 Li1 Yb1 48.7(2) . . ?
Li1 Cl1 Yb1 89.0(3) . . ?
Li1 Cl2 Yb1 89.9(4) . . ?
C25 O1 Yb1 157.9(6) . . ?
C29 O2 C32 109.8(6) . . ?
C29 O2 Yb1 128.3(4) . . ?
C32 O2 Yb1 116.9(4) . . ?
C36 O3 C33 108.8(9) . . ?
C36 O3 Li1 128.6(8) . . ?
C33 O3 Li1 117.6(8) . . ?
C40 O4 C37 107.5(10) . . ?
C40 O4 Li1 125.1(9) . . ?
C37 O4 Li1 127.3(10) . . ?
C6 C1 C2 115.1(6) . . ?
C6 C1 Yb1 127.6(4) . . ?
C2 C1 Yb1 117.2(5) . . ?
C3 C2 C1 123.0(7) . . ?
C3 C2 C7 116.8(6) . . ?
C1 C2 C7 120.0(6) . . ?
C2 C3 C4 118.8(7) . . ?
C5 C4 C3 119.9(7) . . ?
C4 C5 C6 119.6(7) . . ?
C5 C6 C1 123.4(6) . . ?
C5 C6 C16 116.3(6) . . ?
C1 C6 C16 120.3(6) . . ?
C12 C7 C8 121.4(7) . . ?
C12 C7 C2 120.3(7) . . ?
C8 C7 C2 118.3(7) . . ?
C9 C8 C7 116.7(9) . . ?
C9 C8 C13 121.4(9) . . ?
C7 C8 C13 121.7(9) . . ?
C8 C9 C10 123.7(10) . . ?
C11 C10 C9 117.3(9) . . ?
C11 C10 C14 121.0(13) . . ?
C9 C10 C14 121.7(13) . . ?
C10 C11 C12 123.6(9) . . ?
C11 C12 C7 117.0(8) . . ?
C11 C12 C15 120.7(8) . . ?
C7 C12 C15 122.2(8) . . ?
C21 C16 C17 119.2(6) . . ?
C21 C16 C6 120.3(6) . . ?
C17 C16 C6 120.5(6) . . ?
C18 C17 C16 119.5(7) . . ?
C18 C17 C22 119.4(8) . . ?
C16 C17 C22 120.9(7) . . ?
C19 C18 C17 121.5(8) . . ?
C20 C19 C18 119.0(7) . . ?
C20 C19 C23 120.4(9) . . ?
C18 C19 C23 120.6(9) . . ?
C19 C20 C21 122.4(8) . . ?
C16 C21 C20 118.4(7) . . ?
C16 C21 C24 119.9(6) . . ?
C20 C21 C24 121.6(7) . . ?
O1 C25 C27 108.5(9) . . ?
O1 C25 C26 106.0(7) . . ?
C27 C25 C26 112.8(11) . . ?
O1 C25 C28 108.5(8) . . ?
C27 C25 C28 108.5(10) . . ?
C26 C25 C28 112.4(12) . . ?
O2 C29 C30 104.8(6) . . ?
C31 C30 C29 103.8(7) . . ?
C30 C31 C32 102.7(7) . . ?
O2 C32 C31 105.3(7) . . ?
C34 C33 O3 111.5(13) . . ?
C33 C34 C35 103.0(14) . . ?
C36 C35 C34 104.4(13) . . ?
O3 C36 C35 105.6(10) . . ?
O4 C37 C38 107.9(13) . . ?
C39 C38 C37 107.6(13) . . ?
C38 C39 C40 106.1(12) . . ?
O4 C40 C39 110.8(12) . . ?
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
Yb1 O1 1.965(5) . ?
Yb1 O2 2.315(5) . ?
Yb1 C1 2.425(6) . ?
Yb1 Cl2 2.595(2) . ?
Yb1 Cl1 2.6202(19) . ?
Yb1 Li1 3.485(13) . ?
Li1 O3 1.904(17) . ?
Li1 O4 1.906(15) . ?
Li1 Cl2 2.330(13) . ?
Li1 Cl1 2.344(15) . ?
O1 C25 1.411(9) . ?
O2 C29 1.444(8) . ?
O2 C32 1.448(9) . ?
O3 C36 1.401(12) . ?
O3 C33 1.408(14) . ?
O4 C40 1.392(13) . ?
O4 C37 1.419(13) . ?
C1 C6 1.402(9) . ?
C1 C2 1.395(9) . ?
C2 C3 1.401(9) . ?
C2 C7 1.515(10) . ?
C3 C4 1.391(13) . ?
C4 C5 1.383(13) . ?
C5 C6 1.376(9) . ?
C6 C16 1.502(8) . ?
C7 C12 1.401(11) . ?
C7 C8 1.407(12) . ?
C8 C9 1.399(14) . ?
C8 C13 1.461(15) . ?
C9 C10 1.371(17) . ?
C10 C11 1.362(16) . ?
C10 C14 1.507(13) . ?
C11 C12 1.401(12) . ?
C12 C15 1.457(13) . ?
C16 C21 1.399(10) . ?
C16 C17 1.409(10) . ?
C17 C18 1.384(11) . ?
C17 C22 1.519(12) . ?
C18 C19 1.375(13) . ?
C19 C20 1.354(14) . ?
C19 C23 1.493(11) . ?
C20 C21 1.405(10) . ?
C21 C24 1.520(11) . ?
C25 C27 1.473(17) . ?
C25 C26 1.485(14) . ?
C25 C28 1.495(15) . ?
C29 C30 1.505(12) . ?
C30 C31 1.487(14) . ?
C31 C32 1.505(12) . ?
C33 C34 1.38(2) . ?
C34 C35 1.52(3) . ?
C35 C36 1.47(2) . ?
C37 C38 1.46(2) . ?
C38 C39 1.43(3) . ?
C39 C40 1.44(2) . ?
