#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/07/7000780.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_7000780
loop_
_publ_author_name
'Wallis, Christopher'
'Edwards, Peter G.'
'Hanton, Martin'
'Newman, Paul D.'
'Stasch, Andreas'
'Jones, Cameron'
'Tooze, Robert P.'
_publ_section_title
;
 Coordination chemistry of 2,6-dixylyl-4-phenylphosphabarrelene with
 selected transition metals
;
_journal_issue                   12
_journal_name_full               'Dalton Transactions'
_journal_page_first              2170
_journal_page_last               2177
_journal_paper_doi               10.1039/b816499a
_journal_year                    2009
_chemical_formula_moiety         'C43 H43 Cl2 P Ru, 0.5(C H2 Cl2)'
_chemical_formula_sum            'C43.5 H44 Cl3 P Ru'
_chemical_formula_weight         805.18
_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                107.20(3)
_cell_angle_beta                 103.59(3)
_cell_angle_gamma                106.38(3)
_cell_formula_units_Z            2
_cell_length_a                   10.238(2)
_cell_length_b                   13.693(3)
_cell_length_c                   16.451(3)
_cell_measurement_reflns_used    6038
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.9
_cell_measurement_theta_min      2.92
_cell_volume                     1982.1(11)
_computing_cell_refinement       DENZO/SCALEPACK
_computing_data_collection       'cOLLECT,Nonius BV, 1997-2001'
_computing_data_reduction        DENZO/SCALEPACK
_computing_structure_refinement  SHELXL-97
_computing_structure_solution    SHELXs-97
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Nonius kappa CCD'
_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  0.0352
_diffrn_reflns_av_sigmaI/netI    0.0586
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            13631
_diffrn_reflns_theta_full        25.90
_diffrn_reflns_theta_max         25.90
_diffrn_reflns_theta_min         2.92
_exptl_absorpt_coefficient_mu    0.667
_exptl_absorpt_correction_T_max  0.906
_exptl_absorpt_correction_T_min  0.800
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sortav (Blessing, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.349
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             830
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.460
_refine_diff_density_min         -0.637
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     458
_refine_ls_number_reflns         7520
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0675
_refine_ls_R_factor_gt           0.0525
_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)+(0.0770P)²+2.3610P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1409
_refine_ls_wR_factor_ref         0.1500
_reflns_number_gt                6038
_reflns_number_total             7520
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b816499a.txt
_cod_data_source_block           cj444
_cod_original_cell_volume        1982.2(7)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C43.50 H44 Cl3 P Ru'
_cod_database_code               7000780
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
Ru1 Ru 0.49056(4) 0.13804(3) 0.16316(2) 0.03321(13) Uani 1 1 d . . .
Cl1 Cl 0.45964(12) -0.04708(9) 0.15087(7) 0.0394(3) Uani 1 1 d . . .
P1 P 0.54221(11) 0.17649(9) 0.31954(7) 0.0310(2) Uani 1 1 d . . .
C1 C 0.6639(4) 0.1264(3) 0.3831(3) 0.0319(9) Uani 1 1 d . . .
Cl2 Cl 0.74295(12) 0.17292(10) 0.18656(8) 0.0426(3) Uani 1 1 d . . .
C2 C 0.6758(4) 0.1541(3) 0.4747(3) 0.0321(9) Uani 1 1 d . . .
Cl3 Cl -0.0801(3) -0.3294(2) -0.1244(2) 0.0726(9) Uani 0.50 1 d P . .
C3 C 0.5888(4) 0.2236(3) 0.5099(3) 0.0346(9) Uani 1 1 d . . .
Cl4 Cl -0.1170(4) -0.4210(2) 0.0133(2) 0.0727(8) Uani 0.50 1 d P . .
C4 C 0.6356(5) 0.3266(4) 0.4890(3) 0.0387(10) Uani 1 1 d . . .
H4 H 0.6749 0.3973 0.5372 0.046 Uiso 1 1 calc R . .
C5 C 0.6228(5) 0.3201(4) 0.4051(3) 0.0369(9) Uani 1 1 d . . .
C6 C 0.4315(5) 0.1558(3) 0.4489(3) 0.0345(9) Uani 1 1 d . . .
H6 H 0.3609 0.1340 0.4752 0.041 Uiso 1 1 calc R . .
C7 C 0.3905(4) 0.1265(3) 0.3596(3) 0.0326(9) Uani 1 1 d . . .
C8 C 0.7610(5) 0.1182(4) 0.5288(3) 0.0372(10) Uani 1 1 d . . .
H8 H 0.7688 0.1359 0.5906 0.045 Uiso 1 1 calc R . .
C9 C 0.8348(5) 0.0561(4) 0.4919(3) 0.0387(10) Uani 1 1 d . . .
H9 H 0.8933 0.0317 0.5289 0.046 Uiso 1 1 calc R . .
C10 C 0.8240(5) 0.0295(4) 0.4019(3) 0.0380(10) Uani 1 1 d . . .
H10 H 0.8756 -0.0124 0.3776 0.046 Uiso 1 1 calc R . .
C11 C 0.7371(4) 0.0642(3) 0.3469(3) 0.0343(9) Uani 1 1 d . . .
H11 H 0.7284 0.0451 0.2849 0.041 Uiso 1 1 calc R . .
C12 C 0.6160(5) 0.2520(4) 0.6111(3) 0.0375(10) Uani 1 1 d . . .
C13 C 0.5222(5) 0.1906(4) 0.6425(3) 0.0396(10) Uani 1 1 d . . .
H13 H 0.4397 0.1274 0.6001 0.048 Uiso 1 1 calc R . .
C14 C 0.5473(5) 0.2203(4) 0.7349(3) 0.0465(11) Uani 1 1 d . . .
H14 H 0.4796 0.1796 0.7552 0.056 Uiso 1 1 calc R . .
C15 C 0.6709(6) 0.3089(4) 0.7975(3) 0.0573(14) Uani 1 1 d . . .
H15 H 0.6893 0.3287 0.8607 0.069 Uiso 1 1 calc R . .
C16 C 0.7664(6) 0.3676(5) 0.7670(3) 0.0634(15) Uani 1 1 d . . .
H16 H 0.8522 0.4278 0.8096 0.076 Uiso 1 1 calc R . .
C17 C 0.7399(6) 0.3406(4) 0.6750(3) 0.0529(12) Uani 1 1 d . . .
H17 H 0.8068 0.3830 0.6553 0.063 Uiso 1 1 calc R . .
C18 C 0.6727(5) 0.4227(4) 0.3871(3) 0.0408(10) Uani 1 1 d . . .
C19 C 0.8102(5) 0.4652(4) 0.3829(4) 0.0502(12) Uani 1 1 d . . .
C20 C 0.8526(6) 0.5674(4) 0.3741(4) 0.0602(14) Uani 1 1 d . . .
H20 H 0.9468 0.5978 0.3719 0.072 Uiso 1 1 calc R . .
C21 C 0.7612(6) 0.6253(4) 0.3685(4) 0.0602(14) Uani 1 1 d . . .
C22 C 0.6282(6) 0.5826(4) 0.3732(4) 0.0569(14) Uani 1 1 d . . .
H22 H 0.5650 0.6216 0.3698 0.068 Uiso 1 1 calc R . .
C23 C 0.5839(6) 0.4842(4) 0.3827(3) 0.0487(12) Uani 1 1 d . . .
H23 H 0.4904 0.4565 0.3866 0.058 Uiso 1 1 calc R . .
C24 C 0.9147(6) 0.4094(5) 0.3919(5) 0.0716(17) Uani 1 1 d . . .
H24A H 0.9111 0.3807 0.4397 0.107 Uiso 1 1 calc R . .
H24B H 1.0130 0.4624 0.4078 0.107 Uiso 1 1 calc R . .
H24C H 0.8891 0.3482 0.3342 0.107 Uiso 1 1 calc R . .
C25 C 0.8126(7) 0.7354(5) 0.3580(5) 0.080(2) Uani 1 1 d . . .
H25A H 0.8406 0.7961 0.4164 0.121 Uiso 1 1 calc R . .
H25B H 0.7339 0.7387 0.3129 0.121 Uiso 1 1 calc R . .
H25C H 0.8964 0.7422 0.3379 0.121 Uiso 1 1 calc R . .
C26 C 0.2382(4) 0.0514(4) 0.2994(3) 0.0342(9) Uani 1 1 d . . .
C27 C 0.1252(5) 0.0911(4) 0.2858(3) 0.0421(11) Uani 1 1 d . . .
C28 C -0.0147(5) 0.0156(5) 0.2333(3) 0.0473(12) Uani 1 1 d . . .
H28 H -0.0906 0.0422 0.2215 0.057 Uiso 1 1 calc R . .
C29 C -0.0481(5) -0.0978(5) 0.1973(3) 0.0476(12) Uani 1 1 d . . .
C30 C 0.0636(5) -0.1348(4) 0.2123(3) 0.0448(11) Uani 1 1 d . . .
H30 H 0.0431 -0.2119 0.1885 0.054 Uiso 1 1 calc R . .
C31 C 0.2052(5) -0.0615(4) 0.2616(3) 0.0383(10) Uani 1 1 d . . .
H31 H 0.2809 -0.0888 0.2698 0.046 Uiso 1 1 calc R . .
C32 C 0.1553(6) 0.2127(5) 0.3298(4) 0.0645(15) Uani 1 1 d . . .
H32A H 0.1713 0.2329 0.3947 0.097 Uiso 1 1 calc R . .
H32B H 0.0721 0.2280 0.3014 0.097 Uiso 1 1 calc R . .
H32C H 0.2420 0.2560 0.3219 0.097 Uiso 1 1 calc R . .
C33 C -0.2049(6) -0.1789(6) 0.1422(4) 0.0695(17) Uani 1 1 d . . .
H33A H -0.2712 -0.1403 0.1502 0.104 Uiso 1 1 calc R . .
H33B H -0.2273 -0.2394 0.1633 0.104 Uiso 1 1 calc R . .
H33C H -0.2165 -0.2088 0.0778 0.104 Uiso 1 1 calc R . .
C34 C 0.4935(5) 0.2793(4) 0.1203(3) 0.0426(11) Uani 1 1 d . . .
C35 C 0.3921(5) 0.2598(4) 0.1633(3) 0.0399(10) Uani 1 1 d . . .
H35 H 0.3991 0.3187 0.2145 0.048 Uiso 1 1 calc R . .
C36 C 0.2781(5) 0.1543(4) 0.1332(3) 0.0388(10) Uani 1 1 d . . .
H36 H 0.2093 0.1447 0.1630 0.047 Uiso 1 1 calc R . .
C37 C 0.2682(5) 0.0650(4) 0.0592(3) 0.0400(10) Uani 1 1 d . . .
C38 C 0.3743(5) 0.0835(4) 0.0157(3) 0.0426(11) Uani 1 1 d . . .
H38 H 0.3703 0.0240 -0.0339 0.051 Uiso 1 1 calc R . .
C39 C 0.4829(5) 0.1878(4) 0.0454(3) 0.0426(11) Uani 1 1 d . . .
H39 H 0.5511 0.1982 0.0152 0.051 Uiso 1 1 calc R . .
C40 C 0.6003(5) 0.3942(4) 0.1484(4) 0.0541(13) Uani 1 1 d . . .
H40 H 0.6359 0.4292 0.2162 0.065 Uiso 1 1 calc R . .
C41 C 0.5211(7) 0.4609(5) 0.1122(5) 0.080(2) Uani 1 1 d . . .
H41A H 0.4932 0.4333 0.0460 0.120 Uiso 1 1 calc R . .
H41B H 0.5856 0.5390 0.1387 0.120 Uiso 1 1 calc R . .
H41C H 0.4339 0.4531 0.1288 0.120 Uiso 1 1 calc R . .
C42 C 0.7347(7) 0.4010(6) 0.1195(5) 0.084(2) Uani 1 1 d . . .
H42A H 0.7857 0.3602 0.1449 0.127 Uiso 1 1 calc R . .
H42B H 0.8000 0.4785 0.1422 0.127 Uiso 1 1 calc R . .
H42C H 0.7036 0.3687 0.0532 0.127 Uiso 1 1 calc R . .
C43 C 0.1530(5) -0.0473(4) 0.0261(3) 0.0502(12) Uani 1 1 d . . .
H43A H 0.1050 -0.0506 0.0708 0.075 Uiso 1 1 calc R . .
H43B H 0.1970 -0.1028 0.0177 0.075 Uiso 1 1 calc R . .
H43C H 0.0813 -0.0622 -0.0318 0.075 Uiso 1 1 calc R . .
C44 C -0.0059(14) -0.3368(11) -0.0194(8) 0.072(3) Uani 0.50 1 d PU . .
H44A H 0.0767 -0.3603 -0.0214 0.086 Uiso 0.50 1 calc PR . .
H44B H 0.0340 -0.2613 0.0281 0.086 Uiso 0.50 1 calc PR . .
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'
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'
Ru Ru -1.2594 0.8363 '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
C35 Ru1 C36 38.12(17) . . ?
C35 Ru1 C38 79.05(17) . . ?
C36 Ru1 C38 67.04(16) . . ?
C35 Ru1 C39 66.48(17) . . ?
C36 Ru1 C39 79.09(16) . . ?
C38 Ru1 C39 36.60(18) . . ?
C35 Ru1 C37 67.65(17) . . ?
C36 Ru1 C37 36.97(16) . . ?
C38 Ru1 C37 37.74(16) . . ?
C39 Ru1 C37 67.18(17) . . ?
C35 Ru1 C34 36.82(16) . . ?
C36 Ru1 C34 67.77(17) . . ?
C38 Ru1 C34 67.10(18) . . ?
C39 Ru1 C34 37.36(17) . . ?
C37 Ru1 C34 80.15(17) . . ?
C35 Ru1 P1 94.54(12) . . ?
C36 Ru1 P1 98.05(12) . . ?
C38 Ru1 P1 162.77(13) . . ?
C39 Ru1 P1 152.95(14) . . ?
C37 Ru1 P1 125.04(12) . . ?
C34 Ru1 P1 116.53(13) . . ?
C35 Ru1 Cl2 124.79(13) . . ?
C36 Ru1 Cl2 161.74(12) . . ?
C38 Ru1 Cl2 108.05(13) . . ?
C39 Ru1 Cl2 87.12(12) . . ?
C37 Ru1 Cl2 144.77(12) . . ?
C34 Ru1 Cl2 94.03(12) . . ?
P1 Ru1 Cl2 88.78(5) . . ?
C35 Ru1 Cl1 147.70(13) . . ?
C36 Ru1 Cl1 109.95(13) . . ?
C38 Ru1 Cl1 92.76(13) . . ?
C39 Ru1 Cl1 122.32(13) . . ?
C37 Ru1 Cl1 86.70(13) . . ?
C34 Ru1 Cl1 159.27(13) . . ?
P1 Ru1 Cl1 84.15(5) . . ?
Cl2 Ru1 Cl1 87.50(5) . . ?
C1 P1 C5 95.32(19) . . ?
C1 P1 C7 95.03(18) . . ?
C5 P1 C7 96.50(19) . . ?
C1 P1 Ru1 123.09(13) . . ?
C5 P1 Ru1 121.56(14) . . ?
C7 P1 Ru1 118.87(14) . . ?
C11 C1 C2 120.3(4) . . ?
C11 C1 P1 125.3(3) . . ?
C2 C1 P1 114.5(3) . . ?
C8 C2 C1 119.8(4) . . ?
C8 C2 C3 123.1(4) . . ?
C1 C2 C3 117.1(3) . . ?
C6 C3 C4 106.6(3) . . ?
C6 C3 C12 114.5(3) . . ?
C4 C3 C12 112.0(4) . . ?
C6 C3 C2 105.1(3) . . ?
C4 C3 C2 106.1(3) . . ?
C12 C3 C2 111.8(3) . . ?
C5 C4 C3 121.6(4) . . ?
C4 C5 C18 120.3(4) . . ?
C4 C5 P1 113.6(3) . . ?
C18 C5 P1 126.1(3) . . ?
C7 C6 C3 121.6(4) . . ?
C6 C7 C26 121.1(4) . . ?
C6 C7 P1 113.6(3) . . ?
C26 C7 P1 125.1(3) . . ?
C2 C8 C9 119.5(4) . . ?
C10 C9 C8 120.8(4) . . ?
C9 C10 C11 119.9(4) . . ?
C1 C11 C10 119.7(4) . . ?
C13 C12 C17 118.0(4) . . ?
C13 C12 C3 122.2(4) . . ?
C17 C12 C3 119.8(4) . . ?
C12 C13 C14 121.0(4) . . ?
C15 C14 C13 120.1(5) . . ?
C16 C15 C14 119.1(5) . . ?
C15 C16 C17 121.0(5) . . ?
C16 C17 C12 120.6(5) . . ?
C19 C18 C23 118.5(4) . . ?
C19 C18 C5 122.0(4) . . ?
C23 C18 C5 119.2(4) . . ?
C18 C19 C20 118.0(4) . . ?
C18 C19 C24 122.5(5) . . ?
C20 C19 C24 119.5(5) . . ?
C21 C20 C19 122.1(5) . . ?
C22 C21 C20 118.8(5) . . ?
C22 C21 C25 121.4(5) . . ?
C20 C21 C25 119.8(5) . . ?
C21 C22 C23 120.7(5) . . ?
C22 C23 C18 121.8(5) . . ?
C31 C26 C27 119.1(4) . . ?
C31 C26 C7 119.0(4) . . ?
C27 C26 C7 121.7(4) . . ?
C28 C27 C26 118.4(4) . . ?
C28 C27 C32 120.8(4) . . ?
C26 C27 C32 120.7(4) . . ?
C27 C28 C29 122.3(4) . . ?
C30 C29 C28 118.2(4) . . ?
C30 C29 C33 121.0(5) . . ?
C28 C29 C33 120.8(5) . . ?
C29 C30 C31 120.9(5) . . ?
C30 C31 C26 120.9(4) . . ?
C35 C34 C39 117.3(4) . . ?
C35 C34 C40 120.0(4) . . ?
C39 C34 C40 122.5(4) . . ?
C35 C34 Ru1 69.1(2) . . ?
C39 C34 Ru1 70.8(2) . . ?
C40 C34 Ru1 135.2(3) . . ?
C34 C35 C36 122.4(4) . . ?
C34 C35 Ru1 74.1(2) . . ?
C36 C35 Ru1 72.0(2) . . ?
C37 C36 C35 119.8(4) . . ?
C37 C36 Ru1 72.6(2) . . ?
C35 C36 Ru1 69.9(2) . . ?
C36 C37 C38 118.2(4) . . ?
C36 C37 C43 121.9(4) . . ?
C38 C37 C43 119.8(4) . . ?
C36 C37 Ru1 70.4(2) . . ?
C38 C37 Ru1 70.7(2) . . ?
C43 C37 Ru1 129.7(3) . . ?
C39 C38 C37 120.8(4) . . ?
C39 C38 Ru1 72.0(3) . . ?
C37 C38 Ru1 71.6(2) . . ?
C38 C39 C34 121.3(4) . . ?
C38 C39 Ru1 71.4(2) . . ?
C34 C39 Ru1 71.8(2) . . ?
C34 C40 C41 109.0(4) . . ?
C34 C40 C42 114.8(5) . . ?
C41 C40 C42 110.6(5) . . ?
Cl4 C44 Cl3 117.5(7) . . ?
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
Ru1 C35 2.177(4) . ?
Ru1 C36 2.204(4) . ?
Ru1 C38 2.221(4) . ?
Ru1 C39 2.228(4) . ?
Ru1 C37 2.232(4) . ?
Ru1 C34 2.240(4) . ?
Ru1 P1 2.3619(12) . ?
Ru1 Cl2 2.4044(12) . ?
Ru1 Cl1 2.4043(12) . ?
P1 C1 1.846(4) . ?
P1 C5 1.852(5) . ?
P1 C7 1.862(4) . ?
C1 C11 1.383(5) . ?
C1 C2 1.407(6) . ?
C2 C8 1.390(6) . ?
C2 C3 1.559(5) . ?
Cl3 C44 1.761(13) . ?
C3 C6 1.520(6) . ?
C3 C4 1.524(6) . ?
C3 C12 1.529(6) . ?
Cl4 C44 1.681(12) . ?
C4 C5 1.329(6) . ?
C5 C18 1.497(6) . ?
C6 C7 1.326(6) . ?
C7 C26 1.496(6) . ?
C8 C9 1.391(6) . ?
C9 C10 1.385(6) . ?
C10 C11 1.396(5) . ?
C12 C13 1.389(6) . ?
C12 C17 1.391(7) . ?
C13 C14 1.392(6) . ?
C14 C15 1.384(7) . ?
C15 C16 1.371(8) . ?
C16 C17 1.386(7) . ?
C18 C19 1.389(7) . ?
C18 C23 1.407(6) . ?
C19 C20 1.405(7) . ?
C19 C24 1.485(7) . ?
C20 C21 1.392(7) . ?
C21 C22 1.353(8) . ?
C21 C25 1.525(7) . ?
C22 C23 1.363(7) . ?
C26 C31 1.389(6) . ?
C26 C27 1.411(6) . ?
C27 C28 1.386(7) . ?
C27 C32 1.511(7) . ?
C28 C29 1.393(7) . ?
C29 C30 1.376(6) . ?
C29 C33 1.533(7) . ?
C30 C31 1.383(6) . ?
C34 C35 1.396(6) . ?
C34 C39 1.431(7) . ?
C34 C40 1.500(7) . ?
C35 C36 1.431(7) . ?
C36 C37 1.407(6) . ?
C37 C38 1.440(6) . ?
C37 C43 1.494(7) . ?
C38 C39 1.397(7) . ?
C40 C41 1.536(7) . ?
C40 C42 1.546(8) . ?
