#------------------------------------------------------------------------------
#$Date: 2018-09-04 18:33:05 +0300 (Tue, 04 Sep 2018) $
#$Revision: 210422 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/10/27/7102759.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_7102759
loop_
_publ_author_name
'Geier, Stephen J.'
'Stephan, Douglas W.'
_publ_section_title
;
 Rh-catalyzed P--P bond activation
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   1
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              99
_journal_page_last               101
_journal_paper_doi               10.1039/b712972f
_journal_year                    2008
_chemical_formula_sum            'C53 H61 N2 P2 Rh'
_chemical_formula_weight         890.89
_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                 94.769(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.8591(11)
_cell_length_b                   35.296(4)
_cell_length_c                   12.6312(13)
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.0
_cell_volume                     4824.6(9)
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0506
_diffrn_reflns_av_sigmaI/netI    0.0363
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            46044
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    0.456
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.278556
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    1.227
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1872
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.647
_refine_diff_density_min         -0.194
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     525
_refine_ls_number_reflns         8472
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0695
_refine_ls_R_factor_gt           0.0484
_refine_ls_shift/su_max          0.029
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0687P)²+0.0997P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1099
_refine_ls_wR_factor_ref         0.1222
_reflns_number_gt                6281
_reflns_number_total             8472
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b712972f.txt
_cod_data_source_block           RhNacNac(Ph2PPPh2)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7102759
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
Rh1 Rh 0.36159(2) 0.139640(8) 0.25199(2) 0.05202(11) Uani 1 1 d . . .
P1 P 0.37166(9) 0.07847(3) 0.29604(8) 0.0561(2) Uani 1 1 d . . .
P2 P 0.36818(9) 0.11940(3) 0.42064(7) 0.0552(2) Uani 1 1 d . . .
N1 N 0.3280(3) 0.14259(8) 0.0888(2) 0.0580(7) Uani 1 1 d . . .
N2 N 0.3918(2) 0.19706(8) 0.2593(2) 0.0515(7) Uani 1 1 d . . .
C1 C 0.2864(4) 0.10873(11) 0.0326(3) 0.0641(10) Uani 1 1 d . . .
C2 C 0.3746(4) 0.08316(12) -0.0007(3) 0.0719(11) Uani 1 1 d . . .
C3 C 0.3314(5) 0.05176(14) -0.0589(4) 0.0910(14) Uani 1 1 d . . .
H3A H 0.3879 0.0347 -0.0834 0.109 Uiso 1 1 calc R . .
C4 C 0.2068(6) 0.04529(15) -0.0811(4) 0.0991(16) Uani 1 1 d . . .
H4A H 0.1797 0.0239 -0.1191 0.119 Uiso 1 1 calc R . .
C5 C 0.1228(5) 0.07069(14) -0.0467(4) 0.0911(14) Uani 1 1 d . . .
H5A H 0.0389 0.0661 -0.0621 0.109 Uiso 1 1 calc R . .
C6 C 0.1589(4) 0.10272(12) 0.0096(3) 0.0755(11) Uani 1 1 d . . .
C7 C 0.5108(4) 0.08950(14) 0.0231(4) 0.0825(12) Uani 1 1 d . . .
H7A H 0.5213 0.1009 0.0941 0.099 Uiso 1 1 calc R . .
C8 C 0.5873(5) 0.05327(16) 0.0283(4) 0.1148(19) Uani 1 1 d . . .
H8A H 0.5531 0.0356 0.0757 0.172 Uiso 1 1 calc R . .
H8B H 0.6710 0.0591 0.0537 0.172 Uiso 1 1 calc R . .
H8C H 0.5861 0.0423 -0.0414 0.172 Uiso 1 1 calc R . .
C9 C 0.5655(6) 0.1178(2) -0.0530(6) 0.145(3) Uani 1 1 d . . .
H9A H 0.5172 0.1406 -0.0562 0.218 Uiso 1 1 calc R . .
H9B H 0.5642 0.1068 -0.1226 0.218 Uiso 1 1 calc R . .
H9C H 0.6491 0.1236 -0.0276 0.218 Uiso 1 1 calc R . .
C10 C 0.0632(5) 0.12980(16) 0.0453(5) 0.1024(17) Uani 1 1 d . . .
H10A H 0.1056 0.1527 0.0731 0.123 Uiso 1 1 calc R . .
C11 C -0.0327(6) 0.14159(18) -0.0455(6) 0.138(2) Uani 1 1 d . . .
H11A H 0.0088 0.1528 -0.1020 0.207 Uiso 1 1 calc R . .
H11B H -0.0890 0.1596 -0.0194 0.207 Uiso 1 1 calc R . .
H11C H -0.0778 0.1197 -0.0718 0.207 Uiso 1 1 calc R . .
C12 C -0.0032(6) 0.1121(3) 0.1339(5) 0.165(3) Uani 1 1 d . . .
H12A H 0.0562 0.1046 0.1907 0.247 Uiso 1 1 calc R . .
H12B H -0.0482 0.0902 0.1073 0.247 Uiso 1 1 calc R . .
H12C H -0.0595 0.1301 0.1599 0.247 Uiso 1 1 calc R . .
C13 C 0.3026(5) 0.17274(13) -0.0894(3) 0.0896(14) Uani 1 1 d . . .
H13A H 0.3091 0.1472 -0.1144 0.134 Uiso 1 1 calc R . .
H13B H 0.3592 0.1886 -0.1235 0.134 Uiso 1 1 calc R . .
H13C H 0.2198 0.1817 -0.1058 0.134 Uiso 1 1 calc R . .
C14 C 0.3338(4) 0.17381(11) 0.0306(3) 0.0639(9) Uani 1 1 d . . .
C15 C 0.3671(3) 0.20932(11) 0.0718(3) 0.0640(9) Uani 1 1 d . . .
H15A H 0.3736 0.2283 0.0216 0.077 Uiso 1 1 calc R . .
C16 C 0.3918(3) 0.22046(10) 0.1766(3) 0.0581(9) Uani 1 1 d . . .
C17 C 0.4192(4) 0.26257(11) 0.1932(3) 0.0744(11) Uani 1 1 d . . .
H17A H 0.3824 0.2712 0.2554 0.112 Uiso 1 1 calc R . .
H17B H 0.3854 0.2766 0.1324 0.112 Uiso 1 1 calc R . .
H17C H 0.5070 0.2664 0.2024 0.112 Uiso 1 1 calc R . .
C18 C 0.4320(3) 0.21357(10) 0.3607(3) 0.0576(9) Uani 1 1 d . . .
C19 C 0.3455(4) 0.22835(12) 0.4250(3) 0.0689(10) Uani 1 1 d . . .
C20 C 0.3885(5) 0.24753(13) 0.5162(4) 0.0891(14) Uani 1 1 d . . .
H20A H 0.3320 0.2578 0.5596 0.107 Uiso 1 1 calc R . .
C21 C 0.5114(6) 0.25175(14) 0.5440(4) 0.0931(15) Uani 1 1 d . . .
H21A H 0.5381 0.2656 0.6043 0.112 Uiso 1 1 calc R . .
C22 C 0.5959(4) 0.23556(14) 0.4828(4) 0.0855(13) Uani 1 1 d . . .
H22A H 0.6798 0.2381 0.5033 0.103 Uiso 1 1 calc R . .
C23 C 0.5591(4) 0.21539(11) 0.3909(3) 0.0673(10) Uani 1 1 d . . .
C24 C 0.2072(4) 0.22369(17) 0.3962(4) 0.1007(16) Uani 1 1 d . . .
H24A H 0.1957 0.2029 0.3450 0.121 Uiso 1 1 calc R . .
C25 C 0.1359(5) 0.21399(16) 0.4911(5) 0.1171(19) Uani 1 1 d . . .
H25A H 0.0498 0.2114 0.4683 0.176 Uiso 1 1 calc R . .
H25B H 0.1465 0.2339 0.5429 0.176 Uiso 1 1 calc R . .
H25C H 0.1664 0.1906 0.5219 0.176 Uiso 1 1 calc R . .
C26 C 0.1516(6) 0.2585(3) 0.3452(7) 0.189(4) Uani 1 1 d . . .
H26A H 0.0647 0.2546 0.3282 0.283 Uiso 1 1 calc R . .
H26B H 0.1905 0.2638 0.2812 0.283 Uiso 1 1 calc R . .
H26C H 0.1639 0.2795 0.3931 0.283 Uiso 1 1 calc R . .
C27 C 0.6528(4) 0.19626(16) 0.3263(4) 0.0904(14) Uani 1 1 d . . .
H27A H 0.6074 0.1800 0.2737 0.109 Uiso 1 1 calc R . .
C28 C 0.7436(5) 0.17187(16) 0.3911(5) 0.1151(19) Uani 1 1 d . . .
H28A H 0.8001 0.1607 0.3456 0.173 Uiso 1 1 calc R . .
H28B H 0.7001 0.1523 0.4252 0.173 Uiso 1 1 calc R . .
H28C H 0.7887 0.1871 0.4441 0.173 Uiso 1 1 calc R . .
C29 C 0.7277(7) 0.2236(2) 0.2672(6) 0.180(4) Uani 1 1 d . . .
H29A H 0.7851 0.2098 0.2280 0.270 Uiso 1 1 calc R . .
H29B H 0.7722 0.2402 0.3168 0.270 Uiso 1 1 calc R . .
H29C H 0.6737 0.2382 0.2190 0.270 Uiso 1 1 calc R . .
C30 C 0.5170(4) 0.05213(11) 0.3029(3) 0.0643(9) Uani 1 1 d . . .
C31 C 0.6258(4) 0.07241(14) 0.2973(3) 0.0792(12) Uani 1 1 d . . .
H31A H 0.6227 0.0985 0.2868 0.095 Uiso 1 1 calc R . .
C32 C 0.7376(5) 0.05430(19) 0.3070(4) 0.0991(16) Uani 1 1 d . . .
H32A H 0.8101 0.0682 0.3050 0.119 Uiso 1 1 calc R . .
C33 C 0.7436(6) 0.0155(2) 0.3198(4) 0.114(2) Uani 1 1 d . . .
H33A H 0.8197 0.0032 0.3265 0.137 Uiso 1 1 calc R . .
C34 C 0.6373(6) -0.00480(16) 0.3226(4) 0.1034(17) Uani 1 1 d . . .
H34A H 0.6408 -0.0310 0.3297 0.124 Uiso 1 1 calc R . .
C35 C 0.5243(5) 0.01338(13) 0.3149(4) 0.0829(12) Uani 1 1 d . . .
H35A H 0.4523 -0.0007 0.3179 0.100 Uiso 1 1 calc R . .
C36 C 0.2554(3) 0.04116(10) 0.2973(3) 0.0611(9) Uani 1 1 d . . .
C37 C 0.2064(5) 0.02798(14) 0.2017(4) 0.1014(17) Uani 1 1 d . . .
H37A H 0.2322 0.0384 0.1396 0.122 Uiso 1 1 calc R . .
C38 C 0.1192(6) -0.00045(16) 0.1954(5) 0.123(2) Uani 1 1 d . . .
H38A H 0.0876 -0.0093 0.1292 0.148 Uiso 1 1 calc R . .
C39 C 0.0794(5) -0.01562(14) 0.2845(6) 0.1040(18) Uani 1 1 d . . .
H39A H 0.0201 -0.0347 0.2800 0.125 Uiso 1 1 calc R . .
C40 C 0.1265(5) -0.00280(13) 0.3808(5) 0.0932(15) Uani 1 1 d . . .
H40A H 0.0989 -0.0130 0.4424 0.112 Uiso 1 1 calc R . .
C41 C 0.2162(4) 0.02567(12) 0.3878(4) 0.0804(12) Uani 1 1 d . . .
H41A H 0.2491 0.0341 0.4539 0.096 Uiso 1 1 calc R . .
C42 C 0.4936(3) 0.11687(11) 0.5255(3) 0.0598(9) Uani 1 1 d . . .
C43 C 0.5236(4) 0.14964(13) 0.5818(3) 0.0813(12) Uani 1 1 d . . .
H43A H 0.4801 0.1719 0.5653 0.098 Uiso 1 1 calc R . .
C44 C 0.6174(5) 0.14962(17) 0.6623(4) 0.1001(16) Uani 1 1 d . . .
H44A H 0.6376 0.1719 0.6992 0.120 Uiso 1 1 calc R . .
C45 C 0.6811(4) 0.1171(2) 0.6882(4) 0.0995(17) Uani 1 1 d . . .
H45A H 0.7446 0.1172 0.7424 0.119 Uiso 1 1 calc R . .
C46 C 0.6513(4) 0.08443(17) 0.6348(4) 0.0958(15) Uani 1 1 d . . .
H46A H 0.6942 0.0623 0.6530 0.115 Uiso 1 1 calc R . .
C47 C 0.5576(4) 0.08402(14) 0.5535(3) 0.0791(12) Uani 1 1 d . . .
H47A H 0.5376 0.0616 0.5176 0.095 Uiso 1 1 calc R . .
C48 C 0.2315(3) 0.11460(10) 0.4951(3) 0.0620(9) Uani 1 1 d . . .
C49 C 0.1152(4) 0.11596(13) 0.4405(4) 0.0767(11) Uani 1 1 d . . .
H49A H 0.1077 0.1196 0.3673 0.092 Uiso 1 1 calc R . .
C50 C 0.0106(4) 0.11197(15) 0.4945(5) 0.0978(15) Uani 1 1 d . . .
H50A H -0.0668 0.1120 0.4571 0.117 Uiso 1 1 calc R . .
C51 C 0.0197(5) 0.10794(16) 0.6016(5) 0.1089(18) Uani 1 1 d . . .
H51A H -0.0515 0.1057 0.6374 0.131 Uiso 1 1 calc R . .
C52 C 0.1329(5) 0.10721(15) 0.6571(4) 0.0986(15) Uani 1 1 d . . .
H52A H 0.1389 0.1048 0.7307 0.118 Uiso 1 1 calc R . .
C53 C 0.2378(4) 0.11003(12) 0.6043(3) 0.0758(11) Uani 1 1 d . . .
H53A H 0.3147 0.1089 0.6426 0.091 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'
P P 0.1023 0.0942 '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
N2 Rh1 N1 90.52(11) . . ?
N2 Rh1 P1 160.02(8) . . ?
N1 Rh1 P1 107.38(9) . . ?
N2 Rh1 P2 106.23(8) . . ?
N1 Rh1 P2 162.38(9) . . ?
P1 Rh1 P2 57.14(4) . . ?
C36 P1 C30 103.15(18) . . ?
C36 P1 P2 115.24(13) . . ?
C30 P1 P2 112.14(13) . . ?
C36 P1 Rh1 132.94(13) . . ?
C30 P1 Rh1 121.91(13) . . ?
P2 P1 Rh1 61.72(4) . . ?
C42 P2 C48 102.22(17) . . ?
C42 P2 P1 116.35(13) . . ?
C48 P2 P1 112.35(13) . . ?
C42 P2 Rh1 132.00(12) . . ?
C48 P2 Rh1 123.67(13) . . ?
P1 P2 Rh1 61.14(4) . . ?
C14 N1 C1 116.2(3) . . ?
C14 N1 Rh1 125.5(3) . . ?
C1 N1 Rh1 118.1(2) . . ?
C16 N2 C18 115.3(3) . . ?
C16 N2 Rh1 126.0(2) . . ?
C18 N2 Rh1 118.3(2) . . ?
C2 C1 C6 121.7(4) . . ?
C2 C1 N1 119.1(4) . . ?
C6 C1 N1 119.3(3) . . ?
C3 C2 C1 117.5(4) . . ?
C3 C2 C7 120.6(4) . . ?
C1 C2 C7 121.9(4) . . ?
C4 C3 C2 121.5(5) . . ?
C5 C4 C3 119.6(5) . . ?
C4 C5 C6 122.1(5) . . ?
C5 C6 C1 117.7(4) . . ?
C5 C6 C10 120.1(4) . . ?
C1 C6 C10 122.3(4) . . ?
C2 C7 C8 114.1(4) . . ?
C2 C7 C9 113.3(4) . . ?
C8 C7 C9 109.5(4) . . ?
C6 C10 C12 109.9(5) . . ?
C6 C10 C11 112.9(5) . . ?
C12 C10 C11 109.2(5) . . ?
N1 C14 C15 124.2(3) . . ?
N1 C14 C13 120.8(4) . . ?
C15 C14 C13 115.0(4) . . ?
C16 C15 C14 129.5(4) . . ?
N2 C16 C15 124.1(3) . . ?
N2 C16 C17 120.6(3) . . ?
C15 C16 C17 115.3(3) . . ?
C19 C18 C23 121.4(4) . . ?
C19 C18 N2 120.0(3) . . ?
C23 C18 N2 118.6(3) . . ?
C20 C19 C18 118.1(4) . . ?
C20 C19 C24 120.6(4) . . ?
C18 C19 C24 121.3(4) . . ?
C21 C20 C19 121.7(5) . . ?
C20 C21 C22 119.8(4) . . ?
C21 C22 C23 121.5(4) . . ?
C22 C23 C18 117.3(4) . . ?
C22 C23 C27 121.2(4) . . ?
C18 C23 C27 121.6(3) . . ?
C26 C24 C25 108.2(5) . . ?
C26 C24 C19 111.7(5) . . ?
C25 C24 C19 113.2(4) . . ?
C29 C27 C28 106.4(4) . . ?
C29 C27 C23 113.4(5) . . ?
C28 C27 C23 113.7(4) . . ?
C35 C30 C31 118.4(4) . . ?
C35 C30 P1 123.5(3) . . ?
C31 C30 P1 118.1(3) . . ?
C32 C31 C30 120.5(5) . . ?
C31 C32 C33 120.4(5) . . ?
C34 C33 C32 119.6(5) . . ?
C33 C34 C35 120.3(5) . . ?
C30 C35 C34 120.8(5) . . ?
C37 C36 C41 118.6(4) . . ?
C37 C36 P1 117.3(3) . . ?
C41 C36 P1 124.1(3) . . ?
C36 C37 C38 121.2(5) . . ?
C39 C38 C37 120.5(5) . . ?
C38 C39 C40 119.5(5) . . ?
C39 C40 C41 120.3(5) . . ?
C36 C41 C40 120.0(5) . . ?
C47 C42 C43 118.6(4) . . ?
C47 C42 P2 123.8(3) . . ?
C43 C42 P2 117.6(3) . . ?
C44 C43 C42 120.5(5) . . ?
C45 C44 C43 120.3(5) . . ?
C46 C45 C44 119.9(5) . . ?
C45 C46 C47 120.4(5) . . ?
C42 C47 C46 120.3(4) . . ?
C53 C48 C49 117.8(4) . . ?
C53 C48 P2 123.2(3) . . ?
C49 C48 P2 119.0(3) . . ?
C50 C49 C48 120.2(4) . . ?
C51 C50 C49 120.7(5) . . ?
C50 C51 C52 120.1(5) . . ?
C51 C52 C53 120.0(5) . . ?
C52 C53 C48 121.2(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
Rh1 N2 2.054(3) . ?
Rh1 N1 2.065(3) . ?
Rh1 P1 2.2300(10) . ?
Rh1 P2 2.2424(10) . ?
P1 C36 1.825(4) . ?
P1 C30 1.828(4) . ?
P1 P2 2.1390(14) . ?
P2 C42 1.821(4) . ?
P2 C48 1.830(4) . ?
N1 C14 1.329(5) . ?
N1 C1 1.444(5) . ?
N2 C16 1.331(4) . ?
N2 C18 1.441(4) . ?
C1 C2 1.406(5) . ?
C1 C6 1.407(6) . ?
C2 C3 1.390(6) . ?
C2 C7 1.501(6) . ?
C3 C4 1.378(7) . ?
C4 C5 1.375(7) . ?
C5 C6 1.376(6) . ?
C6 C10 1.508(6) . ?
C7 C8 1.524(6) . ?
C7 C9 1.539(7) . ?
C10 C12 1.517(9) . ?
C10 C11 1.541(8) . ?
C13 C14 1.526(5) . ?
C14 C15 1.393(5) . ?
C15 C16 1.385(5) . ?
C16 C17 1.527(5) . ?
C18 C19 1.393(5) . ?
C18 C23 1.403(5) . ?
C19 C20 1.384(6) . ?
C19 C24 1.524(6) . ?
C20 C21 1.359(7) . ?
C21 C22 1.373(7) . ?
C22 C23 1.393(6) . ?
C23 C27 1.515(6) . ?
C24 C26 1.491(8) . ?
C24 C25 1.518(7) . ?
C27 C29 1.499(8) . ?
C27 C28 1.500(7) . ?
C30 C35 1.378(6) . ?
C30 C31 1.389(6) . ?
C31 C32 1.368(6) . ?
C32 C33 1.381(8) . ?
C33 C34 1.360(8) . ?
C34 C35 1.381(7) . ?
C36 C37 1.360(6) . ?
C36 C41 1.367(5) . ?
C37 C38 1.377(7) . ?
C38 C39 1.350(8) . ?
C39 C40 1.357(7) . ?
C40 C41 1.397(6) . ?
C42 C47 1.383(6) . ?
C42 C43 1.383(6) . ?
C43 C44 1.379(6) . ?
C44 C45 1.367(8) . ?
C45 C46 1.360(7) . ?
C46 C47 1.384(6) . ?
C48 C53 1.386(5) . ?
C48 C49 1.389(5) . ?
C49 C50 1.380(6) . ?
C50 C51 1.356(7) . ?
C51 C52 1.364(7) . ?
C52 C53 1.371(6) . ?
