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#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/66/7006659.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_7006659
loop_
_publ_author_name
'Meyer, Christian'
'Scherer, Markus'
'Schönberg, Hartmut'
'Rüegger, Heinz'
'Loss, Sandra'
'Gramlich, Volker'
'Grützmacher, Hansjörg'
_publ_section_title
;
 Coordination chemistry of phosphanyl amino acids: solid state and
 solution structures of neutral and cationic rhodium complexes.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              137
_journal_page_last               148
_journal_paper_doi               10.1039/b512653c
_journal_year                    2006
_chemical_formula_moiety         'C35 H40 Cl N2 O5 P Rh'
_chemical_formula_sum            'C35 H40 Cl N2 O5 P Rh'
_chemical_formula_weight         738.02
_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
_cell_angle_alpha                104.3120(10)
_cell_angle_beta                 91.8730(10)
_cell_angle_gamma                112.6490(10)
_cell_formula_units_Z            2
_cell_length_a                   10.7543(3)
_cell_length_b                   11.7575(2)
_cell_length_c                   16.8367(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1884.17(8)
_computing_cell_refinement       'SAINT v4'
_computing_data_collection       'SMART v4'
_computing_data_reduction        'SAINT v4'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1994)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1994)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Siemens CCD1k'
_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  0.0365
_diffrn_reflns_av_sigmaI/netI    0.0387
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            15731
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.26
_exptl_absorpt_coefficient_mu    0.606
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.301
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular shaped crystal'
_exptl_crystal_F_000             762
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.301
_refine_diff_density_min         -0.766
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.188
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         9127
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.188
_refine_ls_R_factor_all          0.0688
_refine_ls_R_factor_gt           0.0557
_refine_ls_shift/su_max          0.066
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0784P)²+2.6008P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1590
_refine_ls_wR_factor_ref         0.1714
_reflns_number_gt                7771
_reflns_number_total             9127
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b512653c.txt
_cod_data_source_block           RhCl(cod)(Z_AlaSerPhos)_10
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7006659
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
Rh1 Rh -0.23368(3) 1.03730(3) 0.334793(18) 0.03570(11) Uani 1 1 d . . .
P1 P -0.06487(9) 1.08105(10) 0.25031(6) 0.0348(2) Uani 1 1 d . . .
Cl1 Cl -0.37800(12) 1.07046(13) 0.24231(7) 0.0518(3) Uani 1 1 d . . .
N1 N -0.3043(4) 0.8492(3) 0.1160(2) 0.0432(8) Uani 1 1 d . . .
H1A H -0.3337 0.8866 0.1569 0.052 Uiso 1 1 calc R . .
C1 C -0.3475(5) 1.0808(7) 0.4363(3) 0.0626(14) Uani 1 1 d . . .
H1B H -0.3999 1.1292 0.4261 0.075 Uiso 1 1 calc R . .
O1 O -0.3261(4) 0.6660(4) 0.0271(3) 0.0699(11) Uani 1 1 d . . .
N2 N -0.5024(5) 0.5291(4) 0.1217(3) 0.0642(12) Uani 1 1 d . A .
H2A H -0.5697 0.4586 0.0959 0.077 Uiso 1 1 calc R . .
C2 C -0.4110(5) 0.9503(6) 0.3970(4) 0.0660(15) Uani 1 1 d . . .
H2B H -0.4997 0.9234 0.3643 0.079 Uiso 1 1 calc R . .
O2 O -0.3107(5) 0.6230(5) 0.2144(3) 0.0919(15) Uani 1 1 d . . .
O3 O -0.4133(6) 0.4074(4) 0.1600(4) 0.0975(16) Uani 1 1 d . . .
C3 C -0.3938(8) 0.8476(9) 0.4275(7) 0.116(3) Uani 1 1 d . . .
H3A H -0.4284 0.8494 0.4801 0.139 Uiso 1 1 calc R . .
H3B H -0.4508 0.7653 0.3888 0.139 Uiso 1 1 calc R . .
O4 O -0.1607(5) 0.9254(6) -0.0575(3) 0.0887(14) Uani 1 1 d . . .
C4 C -0.2556(8) 0.8532(9) 0.4389(6) 0.098(3) Uani 1 1 d . . .
H4A H -0.2593 0.7676 0.4158 0.118 Uiso 1 1 calc R . .
H4B H -0.2245 0.8784 0.4979 0.118 Uiso 1 1 calc R . .
O5 O -0.3452(5) 0.9400(5) -0.0090(2) 0.0776(12) Uani 1 1 d . . .
C5 C -0.1523(6) 0.9437(6) 0.4004(3) 0.0627(14) Uani 1 1 d . . .
H5A H -0.0949 0.9064 0.3696 0.075 Uiso 1 1 calc R . .
C6 C -0.0875(5) 1.0750(7) 0.4357(3) 0.0623(14) Uani 1 1 d . . .
H6A H 0.0071 1.1130 0.4257 0.075 Uiso 1 1 calc R . .
C7 C -0.1181(7) 1.1488(9) 0.5148(4) 0.100(3) Uani 1 1 d . . .
H7A H -0.0941 1.1200 0.5600 0.120 Uiso 1 1 calc R . .
H7B H -0.0582 1.2388 0.5255 0.120 Uiso 1 1 calc R . .
C8 C -0.2569(8) 1.1395(10) 0.5178(4) 0.103(3) Uani 1 1 d . . .
H8A H -0.2532 1.2251 0.5410 0.124 Uiso 1 1 calc R . .
H8B H -0.2977 1.0891 0.5552 0.124 Uiso 1 1 calc R . .
C9 C 0.0440(5) 1.2521(4) 0.2790(3) 0.0456(9) Uani 1 1 d . . .
C10 C 0.0092(6) 1.3372(5) 0.3377(4) 0.0683(15) Uani 1 1 d . . .
H10A H -0.0662 1.3066 0.3642 0.082 Uiso 1 1 calc R . .
C11 C 0.0891(9) 1.4692(7) 0.3564(6) 0.101(3) Uani 1 1 d . . .
H11A H 0.0643 1.5262 0.3943 0.122 Uiso 1 1 calc R . .
C12 C 0.2007(9) 1.5154(6) 0.3206(5) 0.101(3) Uani 1 1 d . . .
H12A H 0.2538 1.6033 0.3350 0.121 Uiso 1 1 calc R . .
C13 C 0.2368(7) 1.4316(6) 0.2622(5) 0.0813(19) Uani 1 1 d . . .
H13A H 0.3140 1.4638 0.2374 0.098 Uiso 1 1 calc R . .
C14 C 0.1588(5) 1.3009(5) 0.2404(3) 0.0589(12) Uani 1 1 d . . .
H14A H 0.1824 1.2455 0.2003 0.071 Uiso 1 1 calc R . .
C15 C 0.0476(4) 0.9988(4) 0.2530(2) 0.0399(8) Uani 1 1 d . . .
C16 C -0.0090(5) 0.8662(5) 0.2242(3) 0.0565(12) Uani 1 1 d . . .
H16A H -0.1009 0.8229 0.2028 0.068 Uiso 1 1 calc R . .
C17 C 0.0702(8) 0.7966(7) 0.2269(4) 0.0743(17) Uani 1 1 d . . .
H17A H 0.0314 0.7074 0.2076 0.089 Uiso 1 1 calc R . .
C18 C 0.2073(7) 0.8617(8) 0.2587(4) 0.0759(18) Uani 1 1 d . . .
H18A H 0.2612 0.8160 0.2590 0.091 Uiso 1 1 calc R . .
C19 C 0.2633(6) 0.9911(7) 0.2894(4) 0.0684(16) Uani 1 1 d . . .
H19A H 0.3546 1.0338 0.3122 0.082 Uiso 1 1 calc R . .
C20 C 0.1842(4) 1.0607(5) 0.2868(3) 0.0521(11) Uani 1 1 d . . .
H20A H 0.2234 1.1497 0.3081 0.063 Uiso 1 1 calc R . .
C21 C -0.1146(4) 1.0604(4) 0.1400(2) 0.0396(8) Uani 1 1 d . . .
H21A H -0.1732 1.1051 0.1371 0.047 Uiso 1 1 calc R . .
H21B H -0.0330 1.1030 0.1176 0.047 Uiso 1 1 calc R . .
C22 C -0.1876(4) 0.9233(4) 0.0835(2) 0.0405(8) Uani 1 1 d . . .
H22A H -0.1238 0.8817 0.0792 0.049 Uiso 1 1 calc R . .
C23 C -0.2284(5) 0.9291(5) -0.0028(3) 0.0505(10) Uani 1 1 d . . .
C24 C -0.3925(11) 0.9467(12) -0.0887(5) 0.126(4) Uani 1 1 d . . .
H24A H -0.4775 0.9555 -0.0865 0.189 Uiso 1 1 calc R . .
H24B H -0.4049 0.8695 -0.1306 0.189 Uiso 1 1 calc R . .
H24C H -0.3264 1.0194 -0.1019 0.189 Uiso 1 1 calc R . .
C25 C -0.3670(5) 0.7224(4) 0.0827(3) 0.0481(10) Uani 1 1 d . A .
C26 C -0.4970(6) 0.6510(6) 0.1158(5) 0.0709(16) Uani 1 1 d . . .
C27 C -0.5415(14) 0.7126(11) 0.1771(9) 0.072(4) Uani 0.474(14) 1 d P A 1
H27A H -0.6235 0.6531 0.1896 0.107 Uiso 0.474(14) 1 calc PR A 1
H27B H -0.5599 0.7781 0.1610 0.107 Uiso 0.474(14) 1 calc PR A 1
H27C H -0.4735 0.7514 0.2252 0.107 Uiso 0.474(14) 1 calc PR A 1
C27A C -0.6209(12) 0.6569(12) 0.0813(10) 0.084(5) Uani 0.526(14) 1 d P A 2
H27D H -0.6968 0.6104 0.1056 0.125 Uiso 0.526(14) 1 calc PR A 2
H27E H -0.6377 0.6193 0.0224 0.125 Uiso 0.526(14) 1 calc PR A 2
H27F H -0.6093 0.7449 0.0934 0.125 Uiso 0.526(14) 1 calc PR A 2
C28 C -0.3988(7) 0.5287(6) 0.1690(4) 0.0697(15) Uani 1 1 d . A .
C29 C -0.3044(13) 0.4083(11) 0.2229(8) 0.071(3) Uani 0.582(5) 1 d P B 1
H29A H -0.2929 0.3285 0.2041 0.085 Uiso 0.582(5) 1 calc PR B 1
H29B H -0.2183 0.4777 0.2229 0.085 Uiso 0.582(5) 1 calc PR B 1
C30 C -0.3344(10) 0.4234(8) 0.3085(7) 0.062(2) Uani 0.582(5) 1 d P B 1
C31 C -0.4569(11) 0.3510(12) 0.3296(7) 0.076(3) Uani 0.582(5) 1 d P B 1
H31A H -0.5290 0.2960 0.2880 0.092 Uiso 0.582(5) 1 calc PR B 1
C32 C -0.4739(14) 0.3585(13) 0.4084(8) 0.086(3) Uani 0.582(5) 1 d P B 1
H32A H -0.5549 0.3042 0.4212 0.103 Uiso 0.582(5) 1 calc PR B 1
C33 C -0.3732(19) 0.4452(16) 0.4703(9) 0.102(5) Uani 0.582(5) 1 d P B 1
H33A H -0.3850 0.4521 0.5255 0.122 Uiso 0.582(5) 1 calc PR B 1
C34 C -0.2557(18) 0.5210(15) 0.4499(10) 0.109(5) Uani 0.582(5) 1 d P B 1
H34A H -0.1868 0.5802 0.4923 0.131 Uiso 0.582(5) 1 calc PR B 1
C35 C -0.2342(14) 0.5151(13) 0.3732(9) 0.093(4) Uani 0.582(5) 1 d P B 1
H35A H -0.1530 0.5713 0.3617 0.112 Uiso 0.582(5) 1 calc PR B 1
C29A C -0.315(3) 0.363(3) 0.1764(17) 0.114(8) Uiso 0.418(5) 1 d P B 2
H29C H -0.3616 0.2786 0.1848 0.137 Uiso 0.418(5) 1 calc PR B 2
H29D H -0.2586 0.4194 0.2282 0.137 Uiso 0.418(5) 1 calc PR B 2
C30A C -0.2178(16) 0.3510(17) 0.1091(10) 0.111(7) Uiso 0.418(5) 1 d PG B 2
C31A C -0.2646(13) 0.2704(16) 0.0289(11) 0.127(8) Uiso 0.418(5) 1 d PG B 2
H31B H -0.3575 0.2302 0.0098 0.152 Uiso 0.418(5) 1 calc PR B 2
C32A C -0.1726(18) 0.2500(15) -0.0229(8) 0.145(10) Uiso 0.418(5) 1 d PG B 2
H32B H -0.2039 0.1961 -0.0766 0.173 Uiso 0.418(5) 1 calc PR B 2
C33A C -0.0337(16) 0.3101(16) 0.0056(10) 0.108(6) Uiso 0.418(5) 1 d PG B 2
H33B H 0.0278 0.2965 -0.0290 0.130 Uiso 0.418(5) 1 calc PR B 2
C34A C 0.0131(13) 0.3907(16) 0.0859(11) 0.130(8) Uiso 0.418(5) 1 d PG B 2
H34B H 0.1060 0.4309 0.1050 0.156 Uiso 0.418(5) 1 calc PR B 2
C35A C -0.0789(18) 0.4111(16) 0.1376(8) 0.143(10) Uiso 0.418(5) 1 d PG B 2
H35B H -0.0476 0.4650 0.1913 0.171 Uiso 0.418(5) 1 calc PR B 2
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'
O O 0.0106 0.0060 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 '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
C6 Rh1 C5 38.2(2) . . ?
C6 Rh1 C1 81.56(19) . . ?
C5 Rh1 C1 91.4(2) . . ?
C6 Rh1 C2 94.4(2) . . ?
C5 Rh1 C2 80.8(2) . . ?
C1 Rh1 C2 36.5(2) . . ?
C6 Rh1 P1 90.51(14) . . ?
C5 Rh1 P1 95.91(14) . . ?
C1 Rh1 P1 156.55(18) . . ?
C2 Rh1 P1 166.99(18) . . ?
C6 Rh1 Cl1 160.38(19) . . ?
C5 Rh1 Cl1 160.81(19) . . ?
C1 Rh1 Cl1 90.19(14) . . ?
C2 Rh1 Cl1 89.29(15) . . ?
P1 Rh1 Cl1 90.13(4) . . ?
C9 P1 C15 106.4(2) . . ?
C9 P1 C21 97.8(2) . . ?
C15 P1 C21 106.39(19) . . ?
C9 P1 Rh1 110.85(15) . . ?
C15 P1 Rh1 114.85(14) . . ?
C21 P1 Rh1 118.67(13) . . ?
C25 N1 C22 120.0(4) . . ?
C2 C1 C8 125.1(6) . . ?
C2 C1 Rh1 72.4(3) . . ?
C8 C1 Rh1 110.9(4) . . ?
C28 N2 C26 118.2(5) . . ?
C1 C2 C3 125.2(7) . . ?
C1 C2 Rh1 71.1(3) . . ?
C3 C2 Rh1 108.9(4) . . ?
C28 O3 C29A 128.9(13) . . ?
C28 O3 C29 108.8(6) . . ?
C29A O3 C29 31.3(11) . . ?
C4 C3 C2 117.3(6) . . ?
C3 C4 C5 115.3(5) . . ?
C23 O5 C24 116.1(5) . . ?
C6 C5 C4 124.2(6) . . ?
C6 C5 Rh1 70.8(3) . . ?
C4 C5 Rh1 113.9(4) . . ?
C5 C6 C7 124.9(6) . . ?
C5 C6 Rh1 71.0(3) . . ?
C7 C6 Rh1 110.0(4) . . ?
C8 C7 C6 117.9(5) . . ?
C7 C8 C1 115.3(5) . . ?
C10 C9 C14 119.1(5) . . ?
C10 C9 P1 119.4(4) . . ?
C14 C9 P1 121.4(4) . . ?
C9 C10 C11 119.3(6) . . ?
C12 C11 C10 121.4(7) . . ?
C11 C12 C13 119.9(6) . . ?
C14 C13 C12 120.6(6) . . ?
C13 C14 C9 119.7(5) . . ?
C16 C15 C20 118.3(4) . . ?
C16 C15 P1 117.7(3) . . ?
C20 C15 P1 123.8(4) . . ?
C15 C16 C17 120.8(5) . . ?
C18 C17 C16 119.4(6) . . ?
C19 C18 C17 120.5(5) . . ?
C18 C19 C20 120.1(5) . . ?
C15 C20 C19 120.8(5) . . ?
C22 C21 P1 117.7(3) . . ?
N1 C22 C21 111.7(3) . . ?
N1 C22 C23 111.1(3) . . ?
C21 C22 C23 108.8(4) . . ?
O4 C23 O5 124.4(5) . . ?
O4 C23 C22 123.6(5) . . ?
O5 C23 C22 112.0(4) . . ?
O1 C25 N1 121.9(4) . . ?
O1 C25 C26 120.9(5) . . ?
N1 C25 C26 117.2(4) . . ?
C27 C26 N2 115.0(7) . . ?
C27 C26 C27A 72.2(9) . . ?
N2 C26 C27A 118.8(7) . . ?
C27 C26 C25 121.0(7) . . ?
N2 C26 C25 110.5(5) . . ?
C27A C26 C25 115.1(7) . . ?
O2 C28 O3 125.6(7) . . ?
O2 C28 N2 124.4(6) . . ?
O3 C28 N2 109.9(6) . . ?
C30 C29 O3 115.4(9) . . ?
C31 C30 C35 117.2(12) . . ?
C31 C30 C29 123.7(10) . . ?
C35 C30 C29 119.1(11) . . ?
C32 C31 C30 121.2(12) . . ?
C31 C32 C33 120.3(14) . . ?
C34 C33 C32 118.6(15) . . ?
C35 C34 C33 123.0(14) . . ?
C34 C35 C30 119.4(14) . . ?
O3 C29A C30A 117.7(19) . . ?
C31A C30A C35A 120.0 . . ?
C31A C30A C29A 123.2(15) . . ?
C35A C30A C29A 116.1(15) . . ?
C30A C31A C32A 120.0 . . ?
C31A C32A C33A 120.0 . . ?
C34A C33A C32A 120.0 . . ?
C33A C34A C35A 120.0 . . ?
C34A C35A C30A 120.0 . . ?
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
Rh1 C6 2.114(5) . ?
Rh1 C5 2.116(5) . ?
Rh1 C1 2.206(4) . ?
Rh1 C2 2.223(5) . ?
Rh1 P1 2.3228(10) . ?
Rh1 Cl1 2.3650(10) . ?
P1 C9 1.821(5) . ?
P1 C15 1.822(4) . ?
P1 C21 1.845(4) . ?
N1 C25 1.334(6) . ?
N1 C22 1.440(5) . ?
C1 C2 1.386(9) . ?
C1 C8 1.494(8) . ?
O1 C25 1.205(6) . ?
N2 C28 1.350(8) . ?
N2 C26 1.441(7) . ?
C2 C3 1.492(9) . ?
O2 C28 1.199(7) . ?
O3 C28 1.342(7) . ?
O3 C29A 1.40(3) . ?
O3 C29 1.549(13) . ?
C3 C4 1.467(10) . ?
O4 C23 1.195(6) . ?
C4 C5 1.505(8) . ?
O5 C23 1.314(6) . ?
O5 C24 1.451(7) . ?
C5 C6 1.383(9) . ?
C6 C7 1.521(8) . ?
C7 C8 1.457(9) . ?
C9 C10 1.393(7) . ?
C9 C14 1.403(7) . ?
C10 C11 1.401(9) . ?
C11 C12 1.344(11) . ?
C12 C13 1.389(11) . ?
C13 C14 1.382(8) . ?
C15 C16 1.382(7) . ?
C15 C20 1.389(6) . ?
C16 C17 1.396(7) . ?
C17 C18 1.387(10) . ?
C18 C19 1.353(10) . ?
C19 C20 1.395(7) . ?
C21 C22 1.529(6) . ?
C22 C23 1.529(6) . ?
C25 C26 1.533(7) . ?
C26 C27 1.322(13) . ?
C26 C27A 1.468(14) . ?
C29 C30 1.470(16) . ?
C30 C31 1.379(15) . ?
C30 C35 1.399(15) . ?
C31 C32 1.332(17) . ?
C32 C33 1.359(19) . ?
C33 C34 1.35(2) . ?
C34 C35 1.31(2) . ?
C29A C30A 1.58(3) . ?
C30A C31A 1.3900 . ?
C30A C35A 1.3900 . ?
C31A C32A 1.3900 . ?
C32A C33A 1.3900 . ?
C33A C34A 1.3900 . ?
C34A C35A 1.3900 . ?
