#------------------------------------------------------------------------------
#$Date: 2019-03-05 10:52:05 +0200 (Tue, 05 Mar 2019) $
#$Revision: 213973 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/06/7050616.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_7050616
loop_
_publ_author_name
'Cole, Marcus L.'
'Junk, Peter C.'
_publ_section_title
;
 Synthesis and structure of the first non ?ate? heteroleptic lanthanoid
 complexes bearing monoanionic 2-amidopyridine ligands
;
_journal_issue                   7
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1032
_journal_paper_doi               10.1039/b304197b
_journal_volume                  27
_journal_year                    2003
_chemical_formula_sum            'C29 H45 N2 Si Tb'
_chemical_formula_weight         608.68
_chemical_name_common            '[TbCp*2(AMPTMS)]'
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            18
_cell_length_a                   17.207(2)
_cell_length_b                   17.207(2)
_cell_length_c                   50.082(10)
_cell_measurement_temperature    123(2)
_cell_volume                     12842(3)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'Nonius Collect'
_computing_data_reduction        'X -Seed'
_computing_molecular_graphics    'X-Seed / POV-Ray'
_computing_publication_material  'Microsoft Office 2000'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       'psi 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  0.0292
_diffrn_reflns_av_sigmaI/netI    0.0356
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       66
_diffrn_reflns_limit_l_min       -66
_diffrn_reflns_number            20174
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         2.76
_exptl_absorpt_coefficient_mu    2.539
_exptl_absorpt_correction_T_max  0.6307
_exptl_absorpt_correction_T_min  0.4300
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   'performed as part of the DENZO-SMN package'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.417
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocks
_exptl_crystal_F_000             5616
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.416
_refine_diff_density_min         -0.990
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     312
_refine_ls_number_reflns         7058
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0359
_refine_ls_R_factor_gt           0.0258
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
calc w=1/[σ²(Fo²)+(0.0298P)²+4.6584P] where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0564
_refine_ls_wR_factor_ref         0.0592
_reflns_number_gt                5933
_reflns_number_total             7058
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b304197b.txt
_cod_data_source_block           compound3
_cod_original_cell_volume        12841(4)
_cod_original_sg_symbol_H-M      R-3
_cod_database_code               7050616
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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
Tb1 Tb 0.628540(6) 0.624860(6) 0.581490(2) 0.01329(4) Uani 1 1 d . . .
Si1 Si 0.75875(4) 0.82221(4) 0.628980(13) 0.01951(14) Uani 1 1 d . . .
N1 N 0.71039(12) 0.75414(12) 0.55283(4) 0.0183(4) Uani 1 1 d . . .
N2 N 0.72358(12) 0.77060(12) 0.59829(4) 0.0171(4) Uani 1 1 d . . .
C1 C 0.75120(14) 0.81051(14) 0.57415(5) 0.0185(5) Uani 1 1 d . . .
C10 C 0.49598(14) 0.66078(15) 0.59208(5) 0.0207(5) Uani 1 1 d . . .
C22 C 0.66357(15) 0.49530(15) 0.59798(5) 0.0201(5) Uani 1 1 d . . .
C23 C 0.74607(15) 0.57757(15) 0.60092(5) 0.0210(5) Uani 1 1 d . . .
C21 C 0.64526(14) 0.48001(14) 0.57047(5) 0.0194(5) Uani 1 1 d . . .
C20 C 0.71500(15) 0.55277(15) 0.55635(5) 0.0183(5) Uani 1 1 d . . .
C11 C 0.47248(14) 0.57938(15) 0.60538(5) 0.0198(5) Uani 1 1 d . . .
C12 C 0.45165(14) 0.51263(15) 0.58561(5) 0.0228(5) Uani 1 1 d . . .
C5 C 0.73019(16) 0.78455(16) 0.52747(5) 0.0234(5) Uani 1 1 d . . .
C7 C 0.73559(17) 0.91677(16) 0.63403(5) 0.0277(6) Uani 1 1 d . . .
H7A H 0.7601 0.9586 0.6190 0.042 Uiso 1 1 calc R . .
H7B H 0.7639 0.9483 0.6506 0.042 Uiso 1 1 calc R . .
H7C H 0.6706 0.8927 0.6351 0.042 Uiso 1 1 calc R . .
C24 C 0.77748(14) 0.61315(14) 0.57509(5) 0.0185(5) Uani 1 1 d . . .
C13 C 0.46353(15) 0.55301(18) 0.56047(5) 0.0272(6) Uani 1 1 d . . .
C8 C 0.88154(16) 0.86766(17) 0.63499(6) 0.0320(6) Uani 1 1 d . . .
H8A H 0.8938 0.8179 0.6359 0.048 Uiso 1 1 calc R . .
H8B H 0.8989 0.9009 0.6519 0.048 Uiso 1 1 calc R . .
H8C H 0.9161 0.9079 0.6203 0.048 Uiso 1 1 calc R . .
C28 C 0.79778(19) 0.61215(19) 0.62648(6) 0.0363(7) Uani 1 1 d . . .
H28A H 0.7564 0.5885 0.6417 0.054 Uiso 1 1 calc R . .
H28B H 0.8284 0.6779 0.6266 0.054 Uiso 1 1 calc R . .
H28C H 0.8423 0.5926 0.6278 0.054 Uiso 1 1 calc R . .
C2 C 0.81643(17) 0.90145(15) 0.56908(5) 0.0280(6) Uani 1 1 d . . .
H2 H 0.8461 0.9416 0.5834 0.034 Uiso 1 1 calc R . .
C9 C 0.69387(18) 0.73387(17) 0.65418(5) 0.0291(6) Uani 1 1 d . . .
H9A H 0.6311 0.7194 0.6539 0.044 Uiso 1 1 calc R . .
H9B H 0.7193 0.7557 0.6720 0.044 Uiso 1 1 calc R . .
H9C H 0.6970 0.6799 0.6500 0.044 Uiso 1 1 calc R . .
C3 C 0.83612(18) 0.93068(17) 0.54308(6) 0.0341(7) Uani 1 1 d . . .
H3 H 0.8797 0.9914 0.5395 0.041 Uiso 1 1 calc R . .
C6 C 0.68062(18) 0.71865(17) 0.50548(5) 0.0304(6) Uani 1 1 d . . .
H6A H 0.6392 0.6599 0.5132 0.046 Uiso 1 1 calc R . .
H6B H 0.7237 0.7134 0.4939 0.046 Uiso 1 1 calc R . .
H6C H 0.6467 0.7397 0.4950 0.046 Uiso 1 1 calc R . .
C29 C 0.86465(15) 0.69678(16) 0.56896(6) 0.0319(6) Uani 1 1 d . . .
H29A H 0.8794 0.7402 0.5834 0.048 Uiso 1 1 calc R . .
H29B H 0.8590 0.7228 0.5522 0.048 Uiso 1 1 calc R . .
H29C H 0.9124 0.6818 0.5673 0.048 Uiso 1 1 calc R . .
C15 C 0.51257(18) 0.74705(17) 0.60484(7) 0.0427(8) Uani 1 1 d . . .
H15A H 0.5674 0.7973 0.5974 0.064 Uiso 1 1 calc R . .
H15B H 0.5194 0.7439 0.6242 0.064 Uiso 1 1 calc R . .
H15C H 0.4617 0.7561 0.6012 0.064 Uiso 1 1 calc R . .
C14 C 0.49099(15) 0.64525(17) 0.56451(5) 0.0254(5) Uani 1 1 d . . .
C27 C 0.61276(19) 0.43220(18) 0.62042(6) 0.0363(7) Uani 1 1 d . . .
H27A H 0.6544 0.4234 0.6316 0.054 Uiso 1 1 calc R . .
H27B H 0.5672 0.3744 0.6131 0.054 Uiso 1 1 calc R . .
H27C H 0.5835 0.4577 0.6312 0.054 Uiso 1 1 calc R . .
C4 C 0.79310(18) 0.87251(16) 0.52205(5) 0.0310(6) Uani 1 1 d . . .
H4 H 0.8068 0.8930 0.5041 0.037 Uiso 1 1 calc R . .
C16 C 0.45883(18) 0.5619(2) 0.63486(5) 0.0384(7) Uani 1 1 d . . .
H16A H 0.3963 0.5161 0.6383 0.058 Uiso 1 1 calc R . .
H16B H 0.4726 0.6175 0.6441 0.058 Uiso 1 1 calc R . .
H16C H 0.4987 0.5407 0.6414 0.058 Uiso 1 1 calc R . .
C25 C 0.72794(19) 0.55637(19) 0.52657(5) 0.0355(7) Uani 1 1 d . . .
H25A H 0.7551 0.5201 0.5216 0.053 Uiso 1 1 calc R . .
H25B H 0.7675 0.6187 0.5210 0.053 Uiso 1 1 calc R . .
H25C H 0.6697 0.5326 0.5177 0.053 Uiso 1 1 calc R . .
C26 C 0.57620(16) 0.39469(16) 0.55724(6) 0.0355(7) Uani 1 1 d . . .
H26A H 0.5390 0.4077 0.5453 0.053 Uiso 1 1 calc R . .
H26B H 0.5382 0.3516 0.5709 0.053 Uiso 1 1 calc R . .
H26C H 0.6064 0.3692 0.5469 0.053 Uiso 1 1 calc R . .
C17 C 0.40748(17) 0.41355(17) 0.59133(8) 0.0474(9) Uani 1 1 d . . .
H17A H 0.4331 0.4040 0.6076 0.071 Uiso 1 1 calc R . .
H17B H 0.4178 0.3832 0.5763 0.071 Uiso 1 1 calc R . .
H17C H 0.3428 0.3890 0.5937 0.071 Uiso 1 1 calc R . .
C19 C 0.4998(2) 0.7127(2) 0.54378(7) 0.0529(9) Uani 1 1 d . . .
H19A H 0.4500 0.7246 0.5457 0.079 Uiso 1 1 calc R . .
H19B H 0.4983 0.6887 0.5259 0.079 Uiso 1 1 calc R . .
H19C H 0.5568 0.7686 0.5463 0.079 Uiso 1 1 calc R . .
C18 C 0.4399(2) 0.5050(3) 0.53387(6) 0.0553(10) Uani 1 1 d . . .
H18A H 0.3823 0.4490 0.5354 0.083 Uiso 1 1 calc R . .
H18B H 0.4868 0.4915 0.5287 0.083 Uiso 1 1 calc R . .
H18C H 0.4351 0.5434 0.5203 0.083 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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -0.1723 4.1537 '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
N2 Tb1 N1 57.27(6) . . ?
N2 Tb1 C11 102.26(6) . . ?
N1 Tb1 C11 124.88(6) . . ?
N2 Tb1 C12 132.32(7) . . ?
N1 Tb1 C12 129.66(7) . . ?
C11 Tb1 C12 30.78(7) . . ?
N2 Tb1 C20 114.15(7) . . ?
N1 Tb1 C20 86.80(6) . . ?
C11 Tb1 C20 141.55(7) . . ?
C12 Tb1 C20 113.37(7) . . ?
N2 Tb1 C13 129.89(7) . . ?
N1 Tb1 C13 100.74(7) . . ?
C11 Tb1 C13 50.50(7) . . ?
C12 Tb1 C13 30.36(8) . . ?
C20 Tb1 C13 107.88(7) . . ?
N2 Tb1 C24 86.68(6) . . ?
N1 Tb1 C24 81.94(6) . . ?
C11 Tb1 C24 152.46(7) . . ?
C12 Tb1 C24 137.58(7) . . ?
C20 Tb1 C24 30.54(7) . . ?
C13 Tb1 C24 138.42(7) . . ?
N2 Tb1 C10 84.40(6) . . ?
N1 Tb1 C10 94.37(6) . . ?
C11 Tb1 C10 30.54(7) . . ?
C12 Tb1 C10 50.44(7) . . ?
C20 Tb1 C10 157.99(7) . . ?
C13 Tb1 C10 50.28(7) . . ?
C24 Tb1 C10 170.98(7) . . ?
N2 Tb1 C14 99.27(7) . . ?
N1 Tb1 C14 80.72(7) . . ?
C11 Tb1 C14 50.31(7) . . ?
C12 Tb1 C14 50.41(7) . . ?
C20 Tb1 C14 129.66(8) . . ?
C13 Tb1 C14 30.74(8) . . ?
C24 Tb1 C14 154.60(7) . . ?
C10 Tb1 C14 30.10(7) . . ?
N2 Tb1 C21 135.68(6) . . ?
N1 Tb1 C21 116.41(7) . . ?
C11 Tb1 C21 112.05(7) . . ?
C12 Tb1 C21 87.56(7) . . ?
C20 Tb1 C21 30.49(7) . . ?
C13 Tb1 C21 94.07(7) . . ?
C24 Tb1 C21 50.36(6) . . ?
C10 Tb1 C21 137.99(7) . . ?
C14 Tb1 C21 124.05(7) . . ?
N2 Tb1 C23 88.07(7) . . ?
N1 Tb1 C23 108.07(7) . . ?
C11 Tb1 C23 122.84(7) . . ?
C12 Tb1 C23 120.40(7) . . ?
C20 Tb1 C23 50.17(7) . . ?
C13 Tb1 C23 141.24(8) . . ?
C24 Tb1 C23 30.44(7) . . ?
C10 Tb1 C23 147.32(7) . . ?
C14 Tb1 C23 170.79(7) . . ?
C21 Tb1 C23 50.02(7) . . ?
N2 Tb1 C22 116.36(7) . . ?
N1 Tb1 C22 132.03(6) . . ?
C11 Tb1 C22 103.09(7) . . ?
C12 Tb1 C22 91.34(7) . . ?
C20 Tb1 C22 50.19(7) . . ?
C13 Tb1 C22 111.09(8) . . ?
C24 Tb1 C22 50.42(7) . . ?
C10 Tb1 C22 133.57(7) . . ?
C14 Tb1 C22 140.60(7) . . ?
C21 Tb1 C22 30.14(7) . . ?
C23 Tb1 C22 30.47(7) . . ?
N2 Si1 C9 105.74(11) . . ?
N2 Si1 C8 112.93(11) . . ?
C9 Si1 C8 108.85(12) . . ?
N2 Si1 C7 113.23(10) . . ?
C9 Si1 C7 108.46(12) . . ?
C8 Si1 C7 107.48(11) . . ?
C5 N1 C1 121.0(2) . . ?
C5 N1 Tb1 146.27(16) . . ?
C1 N1 Tb1 92.58(13) . . ?
C1 N2 Si1 126.18(15) . . ?
C1 N2 Tb1 95.83(13) . . ?
Si1 N2 Tb1 137.94(10) . . ?
N2 C1 N1 114.17(19) . . ?
N2 C1 C2 127.0(2) . . ?
N1 C1 C2 118.8(2) . . ?
C14 C10 C11 108.4(2) . . ?
C14 C10 C15 124.7(2) . . ?
C11 C10 C15 126.5(2) . . ?
C14 C10 Tb1 74.97(13) . . ?
C11 C10 Tb1 73.84(12) . . ?
C15 C10 Tb1 122.95(15) . . ?
C21 C22 C23 107.8(2) . . ?
C21 C22 C27 127.0(2) . . ?
C23 C22 C27 124.8(2) . . ?
C21 C22 Tb1 74.62(13) . . ?
C23 C22 Tb1 74.66(12) . . ?
C27 C22 Tb1 122.24(15) . . ?
C24 C23 C22 108.1(2) . . ?
C24 C23 C28 125.8(2) . . ?
C22 C23 C28 125.5(2) . . ?
C24 C23 Tb1 73.93(12) . . ?
C22 C23 Tb1 74.87(12) . . ?
C28 C23 Tb1 124.78(15) . . ?
C22 C21 C20 108.2(2) . . ?
C22 C21 C26 127.4(2) . . ?
C20 C21 C26 123.3(2) . . ?
C22 C21 Tb1 75.24(12) . . ?
C20 C21 Tb1 73.79(12) . . ?
C26 C21 Tb1 126.39(15) . . ?
C24 C20 C21 108.4(2) . . ?
C24 C20 C25 125.8(2) . . ?
C21 C20 C25 125.0(2) . . ?
C24 C20 Tb1 75.06(12) . . ?
C21 C20 Tb1 75.73(12) . . ?
C25 C20 Tb1 123.47(15) . . ?
C10 C11 C12 107.7(2) . . ?
C10 C11 C16 126.8(2) . . ?
C12 C11 C16 124.9(2) . . ?
C10 C11 Tb1 75.62(12) . . ?
C12 C11 Tb1 74.64(12) . . ?
C16 C11 Tb1 122.14(15) . . ?
C13 C12 C11 108.1(2) . . ?
C13 C12 C17 126.7(3) . . ?
C11 C12 C17 124.3(3) . . ?
C13 C12 Tb1 75.04(13) . . ?
C11 C12 Tb1 74.57(12) . . ?
C17 C12 Tb1 125.42(15) . . ?
N1 C5 C4 121.2(2) . . ?
N1 C5 C6 117.3(2) . . ?
C4 C5 C6 121.5(2) . . ?
C20 C24 C23 107.62(19) . . ?
C20 C24 C29 126.6(2) . . ?
C23 C24 C29 125.6(2) . . ?
C20 C24 Tb1 74.40(12) . . ?
C23 C24 Tb1 75.62(12) . . ?
C29 C24 Tb1 119.03(14) . . ?
C12 C13 C14 108.0(2) . . ?
C12 C13 C18 126.0(3) . . ?
C14 C13 C18 125.6(3) . . ?
C12 C13 Tb1 74.60(13) . . ?
C14 C13 Tb1 75.28(13) . . ?
C18 C13 Tb1 122.13(16) . . ?
C3 C2 C1 119.1(2) . . ?
C2 C3 C4 120.7(2) . . ?
C10 C14 C13 107.9(2) . . ?
C10 C14 C19 124.0(2) . . ?
C13 C14 C19 127.5(3) . . ?
C10 C14 Tb1 74.93(12) . . ?
C13 C14 Tb1 73.98(13) . . ?
C19 C14 Tb1 124.08(16) . . ?
C5 C4 C3 119.1(2) . . ?
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
Tb1 N2 2.3601(18) . ?
Tb1 N1 2.4206(19) . ?
Tb1 C11 2.675(2) . ?
Tb1 C12 2.675(2) . ?
Tb1 C20 2.680(2) . ?
Tb1 C13 2.681(2) . ?
Tb1 C24 2.688(2) . ?
Tb1 C10 2.697(2) . ?
Tb1 C14 2.698(2) . ?
Tb1 C21 2.705(2) . ?
Tb1 C23 2.710(2) . ?
Tb1 C22 2.713(2) . ?
Si1 N2 1.7262(19) . ?
Si1 C9 1.858(3) . ?
Si1 C8 1.875(2) . ?
Si1 C7 1.876(2) . ?
N1 C5 1.351(3) . ?
N1 C1 1.376(3) . ?
N2 C1 1.354(3) . ?
C1 C2 1.420(3) . ?
C10 C14 1.401(3) . ?
C10 C11 1.415(3) . ?
C10 C15 1.507(3) . ?
C22 C21 1.408(3) . ?
C22 C23 1.425(3) . ?
C22 C27 1.502(3) . ?
C23 C24 1.418(3) . ?
C23 C28 1.502(3) . ?
C21 C20 1.416(3) . ?
C21 C26 1.504(3) . ?
C20 C24 1.414(3) . ?
C20 C25 1.505(3) . ?
C11 C12 1.420(3) . ?
C11 C16 1.502(3) . ?
C12 C13 1.403(4) . ?
C12 C17 1.507(3) . ?
C5 C4 1.378(3) . ?
C5 C6 1.503(4) . ?
C24 C29 1.502(3) . ?
C13 C14 1.426(4) . ?
C13 C18 1.512(4) . ?
C2 C3 1.376(4) . ?
C3 C4 1.385(4) . ?
C14 C19 1.507(3) . ?
