#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:20:33 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180073 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/19/7051920.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_7051920
loop_
_publ_author_name
'Bhogala, Balakrishna R.'
'Nangia, Ashwini'
_publ_section_title
;
 Ternary and quaternary co-crystals of
 1,3-cis,5-cis-cyclohexanetricarboxylic acid and
 4,4′-bipyridines
;
_journal_issue                   5
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              800
_journal_paper_doi               10.1039/b800293b
_journal_volume                  32
_journal_year                    2008
_chemical_formula_moiety         2(C9H12O6),2(C12H12N2),1.5(C14H16N2)
_chemical_formula_sum            'C63 H72 N7 O12'
_chemical_formula_weight         1119.28
_chemical_name_systematic
;
cis,cis-1,3,5-cyclohexanetricarboxylic acid
- 1,2-bis(4-pyridyl)ethane - 1,4-bis(4-pyridyl)butane
;
_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                83.231(2)
_cell_angle_beta                 83.523(2)
_cell_angle_gamma                79.704(2)
_cell_formula_units_Z            2
_cell_length_a                   11.678(2)
_cell_length_b                   14.124(3)
_cell_length_c                   17.964(3)
_cell_measurement_reflns_used    9735
_cell_measurement_temperature    100(2)
_cell_volume                     2882.2(9)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_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  0.0272
_diffrn_reflns_av_sigmaI/netI    0.0378
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            25927
_diffrn_reflns_theta_full        26.06
_diffrn_reflns_theta_max         26.06
_diffrn_reflns_theta_min         1.77
_exptl_absorpt_coefficient_mu    0.090
_exptl_absorpt_correction_T_max  0.9770
_exptl_absorpt_correction_T_min  0.9480
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS - Bruker Nonius area detector scaling and absorption correction - V2.10'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.290
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1190
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.26
_refine_diff_density_max         2.754
_refine_diff_density_min         -0.585
_refine_diff_density_rms         0.266
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.856
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     739
_refine_ls_number_reflns         11056
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.856
_refine_ls_R_factor_all          0.1956
_refine_ls_R_factor_gt           0.1707
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0.001
_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          0.4327
_refine_ls_wR_factor_ref         0.4621
_reflns_number_gt                7843
_reflns_number_total             11056
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b800293b.txt
_cod_data_source_block           5h
_cod_original_cell_volume        2882.1(9)
_cod_database_code               7051920
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
O11 O 0.7754(3) 0.5260(2) 0.1235(2) 0.0298(9) Uani 1 1 d . . .
O1 O 0.2752(3) 0.5389(2) 0.1245(2) 0.0347(10) Uani 1 1 d . . .
O12 O 0.6673(3) 0.4158(3) 0.1090(2) 0.0306(9) Uani 1 1 d . . .
N6 N 0.3966(3) 0.3392(3) 0.9254(2) 0.0186(9) Uani 1 1 d . . .
N1 N 0.2414(5) 0.9160(3) 0.2354(3) 0.0373(12) Uani 1 1 d . . .
C6 C 0.8868(5) 0.0864(4) 0.2176(4) 0.0381(15) Uani 1 1 d . . .
O3 O 0.4858(3) 0.4044(3) 0.3639(2) 0.0355(10) Uani 1 1 d . . .
O8 O 0.9022(4) 0.0342(3) 0.1632(2) 0.0501(13) Uani 1 1 d . . .
O10 O 0.9992(3) 0.4106(2) 0.3564(2) 0.0273(9) Uani 1 1 d . . .
C10 C 0.5632(4) 0.1944(3) 0.9897(2) 0.0133(9) Uani 1 1 d . . .
N4 N 0.8030(4) 0.8754(3) 0.2093(3) 0.0360(11) Uani 1 1 d . . .
O9 O 1.1333(3) 0.2780(3) 0.3460(2) 0.0362(10) Uani 1 1 d . . .
C13 C 0.7555(4) 0.4363(3) 0.1274(3) 0.0170(10) Uani 1 1 d . . .
C14 C 0.3591(3) 0.3753(3) 0.1532(3) 0.0150(9) Uani 1 1 d . . .
O6 O 0.4663(4) 0.0285(3) 0.1690(3) 0.0526(13) Uani 1 1 d . . .
C16 C 0.8957(3) 0.3896(3) 0.2284(2) 0.0139(9) Uani 1 1 d . . .
C17 C 0.3299(4) 0.2738(3) 0.1559(3) 0.0215(11) Uani 1 1 d . . .
C18 C 0.7103(4) 0.0402(3) 0.9741(3) 0.0171(10) Uani 1 1 d . . .
C19 C 0.2555(4) 0.4486(3) 0.1261(3) 0.0182(10) Uani 1 1 d . . .
C20 C 0.7884(4) -0.0419(3) 1.0152(3) 0.0160(10) Uani 1 1 d . . .
O2 O 0.1679(3) 0.4286(3) 0.1085(2) 0.0349(10) Uani 1 1 d . . .
C22 C 0.8221(4) 0.2605(3) 0.1694(3) 0.0239(11) Uani 1 1 d . . .
O5 O 0.2940(4) 0.0915(3) 0.2154(3) 0.0541(13) Uani 1 1 d . . .
N3 N 0.7911(3) 0.6788(3) 0.5346(2) 0.0226(9) Uani 1 1 d . . .
C25 C 0.5328(4) 0.3402(3) 0.3273(3) 0.0193(10) Uani 1 1 d . . .
C26 C 0.9376(4) -0.1930(3) 1.0008(3) 0.0155(9) Uani 1 1 d . . .
C27 C 0.4599(4) 0.2180(3) 0.2624(3) 0.0181(10) Uani 1 1 d . . .
C28 C 0.4009(5) 0.0959(4) 0.1890(3) 0.0294(12) Uani 1 1 d . . .
C29 C 0.4302(4) 0.1972(3) 0.1849(3) 0.0185(10) Uani 1 1 d . . .
C30 C 0.3915(4) 0.3956(3) 0.2292(3) 0.0147(9) Uani 1 1 d . . .
C31 C 1.0413(4) 0.3407(3) 0.3242(3) 0.0171(10) Uani 1 1 d . . .
N7 N 1.0994(3) -0.3338(3) 1.0725(2) 0.0206(9) Uani 1 1 d . . .
C33 C 0.8558(4) 0.3624(3) 0.1562(3) 0.0160(10) Uani 1 1 d . . .
O4 O 0.6290(4) 0.2800(3) 0.3457(2) 0.0410(11) Uani 1 1 d . . .
C35 C 0.4878(4) 0.3609(3) 0.9539(3) 0.0195(10) Uani 1 1 d . . .
C36 C 0.8530(4) -0.1143(3) 0.9619(3) 0.0231(11) Uani 1 1 d . . .
C37 C 0.7019(4) 0.6174(3) 0.4129(3) 0.0213(10) Uani 1 1 d . . .
C38 C 0.3872(4) 0.2451(3) 0.9275(3) 0.0210(10) Uani 1 1 d . . .
C39 C 0.4925(4) 0.3197(3) 0.2550(3) 0.0156(10) Uani 1 1 d . . .
C40 C 0.4686(4) 0.1715(3) 0.9584(3) 0.0200(10) Uani 1 1 d . . .
C41 C 0.8496(4) 0.6059(3) 0.4968(3) 0.0255(11) Uani 1 1 d . . .
C42 C 0.9253(4) 0.1852(3) 0.1986(3) 0.0244(11) Uani 1 1 d . . .
O7 O 0.8541(5) 0.0538(3) 0.2843(3) 0.0696(16) Uani 1 1 d . . .
C44 C 0.9969(4) 0.3149(3) 0.2552(3) 0.0161(10) Uani 1 1 d . . .
C45 C 0.6492(4) 0.1152(3) 1.0272(3) 0.0192(10) Uani 1 1 d . . .
C46 C 1.0086(4) -0.3583(3) 1.0457(3) 0.0224(11) Uani 1 1 d . . .
C47 C 0.9639(4) 0.2137(3) 0.2705(3) 0.0206(10) Uani 1 1 d . . .
C48 C 0.3126(6) 0.8345(6) 0.2168(3) 0.0485(18) Uani 1 1 d . . .
C49 C 0.8436(5) 0.7834(4) 0.2010(3) 0.0367(13) Uani 1 1 d . . .
C50 C 0.7019(6) 0.9007(4) 0.2429(4) 0.0442(17) Uani 1 1 d . . .
C51 C 0.7822(5) 0.7129(4) 0.2278(3) 0.0314(12) Uani 1 1 d . . .
C52 C 0.5718(4) 0.2910(3) 0.9870(3) 0.0187(10) Uani 1 1 d . . .
C53 C 0.7745(5) -0.0243(4) 0.5119(4) 0.0383(14) Uani 1 1 d . . .
C54 C 0.9242(4) -0.2894(3) 1.0093(3) 0.0195(10) Uani 1 1 d . . .
C55 C 0.6408(4) 0.6952(4) 0.4514(3) 0.0286(12) Uani 1 1 d . . .
C56 C 1.1109(4) -0.2413(3) 1.0652(3) 0.0251(11) Uani 1 1 d . . .
C57 C 0.8096(5) 0.5741(3) 0.4375(3) 0.0276(11) Uani 1 1 d . . .
N2 N 0.2899(4) 0.6781(3) 0.5347(2) 0.0267(10) Uani 1 1 d . . .
C59 C 0.3524(4) 0.6144(4) 0.4905(3) 0.0312(12) Uani 1 1 d . . .
C60 C 0.6589(5) 0.5798(4) 0.3494(3) 0.0322(13) Uani 1 1 d . . .
C61 C 0.2730(6) 0.7417(4) 0.2323(3) 0.0430(15) Uani 1 1 d . . .
C62 C 0.6703(4) 0.7346(3) 0.2641(3) 0.0231(11) Uani 1 1 d . . .
N5 N 0.5623(5) 0.0881(4) 0.5634(3) 0.0571(16) Uani 1 1 d . . .
C64 C 1.0327(4) -0.1691(3) 1.0300(3) 0.0226(11) Uani 1 1 d . . .
C65 C 0.7273(6) -0.0373(5) 0.5849(4) 0.0521(17) Uani 1 1 d . . .
C66 C 0.6227(6) 0.0198(4) 0.6087(4) 0.0506(17) Uani 1 1 d . . .
C67 C 0.5967(5) 0.6564(4) 0.2936(3) 0.0335(13) Uani 1 1 d . . .
C68 C 0.1355(6) 0.9140(5) 0.2681(4) 0.0484(16) Uani 1 1 d . . .
C69 C 0.8889(5) -0.0831(4) 0.4834(4) 0.0469(17) Uani 1 1 d . . .
C70 C 0.9851(5) -0.0215(5) 0.4645(4) 0.0537(18) Uani 1 1 d . . .
C71 C 0.6874(4) 0.7224(4) 0.5109(3) 0.0296(12) Uani 1 1 d . . .
C72 C 0.6260(5) 0.8278(4) 0.2725(3) 0.0374(14) Uani 1 1 d . . .
C73 C 0.1330(4) 0.6903(4) 0.4569(3) 0.0336(13) Uani 1 1 d . . .
C74 C 0.7128(5) 0.0447(5) 0.4662(4) 0.0476(17) Uani 1 1 d . . .
C75 C 0.1816(5) 0.7141(4) 0.5171(3) 0.0317(12) Uani 1 1 d . . .
C76 C 0.0948(6) 0.8293(5) 0.2830(4) 0.0523(18) Uani 1 1 d . . .
C77 C 0.6073(5) 0.0998(5) 0.4949(4) 0.0504(17) Uani 1 1 d . . .
C78 C 0.2013(6) 0.6220(4) 0.4115(3) 0.0368(14) Uani 1 1 d . . .
C79 C 0.3127(6) 0.5858(4) 0.4313(4) 0.0405(15) Uani 1 1 d . . .
C80 C 0.1604(6) 0.7440(4) 0.2675(3) 0.0375(15) Uani 1 1 d . . .
C81 C 0.1624(9) 0.5859(5) 0.3454(4) 0.081(3) Uani 1 1 d . . .
C82 C 0.1049(8) 0.6539(5) 0.2907(4) 0.067(3) Uani 1 1 d . . .
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'
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 N6 C38 118.1(4) . . ?
C68 N1 C48 121.4(5) . . ?
O8 C6 O7 121.6(5) . . ?
O8 C6 C42 114.9(5) . . ?
O7 C6 C42 123.1(5) . . ?
C52 C10 C40 117.4(4) . . ?
C52 C10 C45 122.3(4) . . ?
C40 C10 C45 120.2(4) . . ?
C50 N4 C49 120.5(5) . . ?
O12 C13 O11 123.3(4) . . ?
O12 C13 C33 124.0(4) . . ?
O11 C13 C33 112.7(3) . . ?
C17 C14 C30 111.9(4) . . ?
C17 C14 C19 108.7(3) . . ?
C30 C14 C19 112.0(3) . . ?
C44 C16 C33 110.7(3) . . ?
C14 C17 C29 110.8(3) . . ?
C20 C18 C45 111.5(4) . . ?
O2 C19 O1 123.7(4) . . ?
O2 C19 C14 125.1(4) . . ?
O1 C19 C14 111.2(4) . . ?
C18 C20 C36 111.6(4) . . ?
C33 C22 C42 110.4(3) . . ?
C41 N3 C71 116.8(4) . . ?
O3 C25 O4 123.2(4) . . ?
O3 C25 C39 124.4(4) . . ?
O4 C25 C39 112.3(4) . . ?
C54 C26 C64 117.9(4) . . ?
C54 C26 C36 122.6(4) . . ?
C64 C26 C36 119.5(4) . . ?
C39 C27 C29 108.8(4) . . ?
O6 C28 O5 122.7(5) . . ?
O6 C28 C29 124.4(5) . . ?
O5 C28 C29 112.8(4) . . ?
C28 C29 C17 111.2(4) . . ?
C28 C29 C27 110.6(4) . . ?
C17 C29 C27 111.0(3) . . ?
C39 C30 C14 110.3(3) . . ?
O10 C31 O9 123.2(4) . . ?
O10 C31 C44 124.2(4) . . ?
O9 C31 C44 112.6(4) . . ?
C46 N7 C56 118.8(4) . . ?
C13 C33 C16 112.0(3) . . ?
C13 C33 C22 110.7(3) . . ?
C16 C33 C22 110.4(4) . . ?
N6 C35 C52 122.8(4) . . ?
C26 C36 C20 112.3(4) . . ?
C57 C37 C55 116.4(5) . . ?
C57 C37 C60 119.2(5) . . ?
C55 C37 C60 124.5(4) . . ?
N6 C38 C40 122.2(4) . . ?
C25 C39 C30 112.3(4) . . ?
C25 C39 C27 110.9(4) . . ?
C30 C39 C27 110.7(3) . . ?
C38 C40 C10 119.7(4) . . ?
N3 C41 C57 123.8(4) . . ?
C6 C42 C47 107.7(4) . . ?
C6 C42 C22 109.6(4) . . ?
C47 C42 C22 111.1(4) . . ?
C31 C44 C16 112.3(3) . . ?
C31 C44 C47 109.6(4) . . ?
C16 C44 C47 111.5(3) . . ?
C10 C45 C18 113.2(4) . . ?
N7 C46 C54 122.3(4) . . ?
C42 C47 C44 109.5(4) . . ?
N1 C48 C61 120.3(6) . . ?
N4 C49 C51 122.2(5) . . ?
N4 C50 C72 121.0(5) . . ?
C49 C51 C62 120.8(5) . . ?
C10 C52 C35 119.8(4) . . ?
C74 C53 C65 116.2(6) . . ?
C74 C53 C69 121.5(6) . . ?
C65 C53 C69 122.3(6) . . ?
C26 C54 C46 118.6(4) . . ?
C71 C55 C37 119.6(4) . . ?
N7 C56 C64 122.8(4) . . ?
C41 C57 C37 120.2(5) . . ?
C59 N2 C75 116.3(5) . . ?
N2 C59 C79 124.0(5) . . ?
C37 C60 C67 115.5(4) . . ?
C80 C61 C48 115.7(6) . . ?
C72 C62 C51 118.3(5) . . ?
C72 C62 C67 119.5(5) . . ?
C51 C62 C67 122.2(5) . . ?
C77 N5 C66 116.0(6) . . ?
C56 C64 C26 119.6(4) . . ?
C53 C65 C66 120.1(6) . . ?
N5 C66 C65 123.5(6) . . ?
C60 C67 C62 111.9(4) . . ?
N1 C68 C76 120.2(7) . . ?
C53 C69 C70 111.8(5) . . ?
C69 C70 C70 112.5(7) . 2_756 ?
N3 C71 C55 123.2(5) . . ?
C62 C72 C50 117.1(5) . . ?
C75 C73 C78 118.1(5) . . ?
C53 C74 C77 120.2(7) . . ?
N2 C75 C73 124.3(5) . . ?
C80 C76 C68 122.6(7) . . ?
N5 C77 C74 124.0(7) . . ?
C79 C78 C73 116.3(5) . . ?
C79 C78 C81 118.2(7) . . ?
C73 C78 C81 125.5(7) . . ?
C59 C79 C78 121.1(5) . . ?
C76 C80 C61 119.7(5) . . ?
C76 C80 C82 116.7(7) . . ?
C61 C80 C82 123.6(6) . . ?
C82 C81 C78 118.9(6) . . ?
C81 C82 C80 115.0(6) . . ?
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
O11 C13 1.321(5) . ?
O1 C19 1.333(5) . ?
O12 C13 1.208(5) . ?
N6 C35 1.330(6) . ?
N6 C38 1.349(6) . ?
N1 C68 1.312(8) . ?
N1 C48 1.346(9) . ?
C6 O8 1.270(7) . ?
C6 O7 1.275(8) . ?
C6 C42 1.530(7) . ?
O3 C25 1.198(6) . ?
O10 C31 1.203(5) . ?
C10 C52 1.380(6) . ?
C10 C40 1.397(6) . ?
C10 C45 1.512(5) . ?
N4 C50 1.275(8) . ?
N4 C49 1.321(7) . ?
O9 C31 1.329(5) . ?
C13 C33 1.516(5) . ?
C14 C17 1.525(6) . ?
C14 C30 1.529(6) . ?
C14 C19 1.529(5) . ?
O6 C28 1.173(7) . ?
C16 C44 1.518(5) . ?
C16 C33 1.537(6) . ?
C17 C29 1.538(6) . ?
C18 C20 1.514(6) . ?
C18 C45 1.535(6) . ?
C19 O2 1.193(6) . ?
C20 C36 1.526(6) . ?
C22 C33 1.545(6) . ?
C22 C42 1.553(6) . ?
O5 C28 1.293(7) . ?
N3 C41 1.341(6) . ?
N3 C71 1.347(6) . ?
C25 O4 1.331(5) . ?
C25 C39 1.506(6) . ?
C26 C54 1.388(6) . ?
C26 C64 1.389(6) . ?
C26 C36 1.510(5) . ?
C27 C39 1.538(6) . ?
C27 C29 1.546(6) . ?
C28 C29 1.521(6) . ?
C30 C39 1.520(5) . ?
C31 C44 1.502(6) . ?
N7 C46 1.327(6) . ?
N7 C56 1.327(6) . ?
C35 C52 1.391(6) . ?
C37 C57 1.393(7) . ?
C37 C55 1.408(7) . ?
C37 C60 1.484(7) . ?
C38 C40 1.386(6) . ?
C41 C57 1.361(7) . ?
C42 C47 1.533(7) . ?
C44 C47 1.534(5) . ?
C46 C54 1.414(6) . ?
C48 C61 1.452(9) . ?
C49 C51 1.343(8) . ?
C50 C72 1.489(9) . ?
C51 C62 1.392(7) . ?
C53 C74 1.355(10) . ?
C53 C65 1.369(9) . ?
C53 C69 1.512(8) . ?
C55 C71 1.376(7) . ?
C56 C64 1.385(6) . ?
N2 C59 1.332(7) . ?
N2 C75 1.334(6) . ?
C59 C79 1.337(8) . ?
C60 C67 1.526(8) . ?
C61 C80 1.390(9) . ?
C62 C72 1.345(8) . ?
C62 C67 1.529(7) . ?
N5 C77 1.286(9) . ?
N5 C66 1.338(8) . ?
C65 C66 1.391(8) . ?
C68 C76 1.352(9) . ?
C69 C70 1.526(9) . ?
C70 C70 1.572(14) 2_756 ?
C73 C75 1.376(7) . ?
C73 C78 1.413(9) . ?
C74 C77 1.414(8) . ?
C76 C80 1.349(10) . ?
C78 C79 1.381(9) . ?
C78 C81 1.491(8) . ?
C80 C82 1.523(7) . ?
C81 C82 1.427(10) . ?
