#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:31:56 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178655 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/66/4076693.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_4076693
loop_
_publ_author_name
'Enders, Markus'
'Kohl, Gerald'
'Pritzkow, Hans'
_publ_section_title
;
 Novel Heterobimetallic Compounds with Metal−Metal Bonds: 
 The Use of Quinolyl-Substituted Metallocenes as Tridentate
 Ligands†
;
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1111
_journal_paper_doi               10.1021/om010937o
_journal_volume                  21
_journal_year                    2002
_chemical_formula_moiety         'C28 H20 Cl Fe N2 Zn, 0.5(Cl3  Zn), C H2 Cl2'
_chemical_formula_sum            'C29 H22 Cl6 Fe N2 Zn2'
_chemical_formula_weight         797.78
_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   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                111.4690(10)
_cell_angle_beta                 105.8010(10)
_cell_angle_gamma                92.6180(10)
_cell_formula_units_Z            2
_cell_length_a                   11.04860(10)
_cell_length_b                   11.09080(10)
_cell_length_c                   13.9456(2)
_cell_measurement_temperature    173(2)
_cell_volume                     1509.91(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       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  0.023
_diffrn_reflns_av_sigmaI/netI    0.0154
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            19813
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.65
_exptl_absorpt_coefficient_mu    2.605
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7938
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.755
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             796
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.38
_refine_diff_density_max         0.500
_refine_diff_density_min         -0.457
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     449
_refine_ls_number_reflns         7306
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0272
_refine_ls_R_factor_gt           0.0250
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0391P)²+0.6823P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0663
_refine_ls_wR_factor_ref         0.0674
_reflns_number_gt                6749
_reflns_number_total             7306
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om010937o.cif
_cod_data_source_block           gko19
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4076693
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
Zn1 Zn 0.281621(17) 0.486985(18) 0.647431(15) 0.02002(5) Uani 1 1 d
Zn2 Zn 1.034068(19) 0.65680(2) 1.066323(17) 0.02784(6) Uani 1 1 d
Fe1 Fe 0.51080(2) 0.54626(2) 0.775665(17) 0.01819(6) Uani 1 1 d
Cl1 Cl 0.16713(4) 0.63364(4) 0.60957(4) 0.03097(10) Uani 1 1 d
Cl2 Cl 0.91222(5) 0.80352(6) 1.04584(5) 0.04879(14) Uani 1 1 d
Cl3 Cl 1.22302(4) 0.75140(4) 1.18990(4) 0.03660(11) Uani 1 1 d
Cl4 Cl 0.94000(7) 0.48772(5) 1.09663(5) 0.05197(17) Uani 1 1 d
Cl5 Cl 0.19150(6) -0.17793(5) -0.13116(4) 0.04466(13) Uani 1 1 d
Cl6 Cl 0.37201(6) 0.00617(6) 0.06915(5) 0.05974(17) Uani 1 1 d
N1 N 0.27483(13) 0.34249(14) 0.49492(11) 0.0211(3) Uani 1 1 d
N2 N 0.16556(13) 0.35661(15) 0.67311(11) 0.0230(3) Uani 1 1 d
C1 C 0.49612(15) 0.31244(16) 0.54847(13) 0.0202(3) Uani 1 1 d
C2 C 0.36748(15) 0.26474(16) 0.47938(13) 0.0197(3) Uani 1 1 d
C3 C 0.16020(17) 0.30404(18) 0.42114(14) 0.0267(3) Uani 1 1 d
C4 C 0.12552(18) 0.18467(19) 0.32998(15) 0.0302(4) Uani 1 1 d
C5 C 0.21204(18) 0.10074(18) 0.31811(15) 0.0282(4) Uani 1 1 d
C6 C 0.33667(16) 0.13893(16) 0.39256(13) 0.0229(3) Uani 1 1 d
C7 C 0.43176(19) 0.05841(18) 0.37985(15) 0.0281(4) Uani 1 1 d
C8 C 0.55251(19) 0.10281(19) 0.44990(15) 0.0306(4) Uani 1 1 d
C9 C 0.58461(17) 0.22918(18) 0.53268(14) 0.0261(3) Uani 1 1 d
C10 C 0.54024(15) 0.44918(16) 0.62728(12) 0.0203(3) Uani 1 1 d
C11 C 0.48172(16) 0.56360(16) 0.62810(13) 0.0216(3) Uani 1 1 d
C12 C 0.56310(18) 0.67658(18) 0.71421(14) 0.0271(4) Uani 1 1 d
C13 C 0.67225(18) 0.63496(19) 0.76572(14) 0.0279(4) Uani 1 1 d
C14 C 0.65843(16) 0.49626(18) 0.71355(13) 0.0241(3) Uani 1 1 d
C15 C 0.34613(16) 0.29410(16) 0.77813(13) 0.0208(3) Uani 1 1 d
C16 C 0.21698(16) 0.26533(17) 0.71016(13) 0.0225(3) Uani 1 1 d
C17 C 0.04227(17) 0.3345(2) 0.61915(15) 0.0303(4) Uani 1 1 d
C18 C -0.03900(19) 0.2193(2) 0.59423(18) 0.0385(5) Uani 1 1 d
C19 C 0.01111(19) 0.1228(2) 0.62251(17) 0.0373(4) Uani 1 1 d
C20 C 0.14197(18) 0.14186(19) 0.68056(15) 0.0296(4) Uani 1 1 d
C21 C 0.2000(2) 0.0444(2) 0.71008(17) 0.0351(4) Uani 1 1 d
C22 C 0.3261(2) 0.06909(19) 0.76745(16) 0.0328(4) Uani 1 1 d
C23 C 0.39818(18) 0.19366(17) 0.80280(14) 0.0260(3) Uani 1 1 d
C24 C 0.47421(17) 0.65561(18) 0.91731(13) 0.0246(3) Uani 1 1 d
C25 C 0.37075(16) 0.55157(16) 0.85132(12) 0.0211(3) Uani 1 1 d
C26 C 0.41960(15) 0.42841(16) 0.83105(12) 0.0194(3) Uani 1 1 d
C27 C 0.55365(16) 0.46161(17) 0.88664(13) 0.0224(3) Uani 1 1 d
C28 C 0.58640(17) 0.60030(18) 0.93988(13) 0.0248(3) Uani 1 1 d
C29 C 0.2126(2) -0.0718(2) 0.00394(19) 0.0411(5) Uani 1 1 d
H3 H 0.103(2) 0.361(2) 0.4327(17) 0.026(5) Uiso 1 1 d
H4 H 0.047(3) 0.168(3) 0.282(2) 0.046(7) Uiso 1 1 d
H5 H 0.195(2) 0.019(2) 0.263(2) 0.037(6) Uiso 1 1 d
H7 H 0.415(2) -0.019(2) 0.3281(19) 0.032(6) Uiso 1 1 d
H8 H 0.614(2) 0.050(2) 0.4457(19) 0.040(6) Uiso 1 1 d
H9 H 0.667(2) 0.262(2) 0.5759(17) 0.026(5) Uiso 1 1 d
H11 H 0.415(2) 0.568(2) 0.5758(18) 0.025(5) Uiso 1 1 d
H12 H 0.546(2) 0.759(2) 0.7311(17) 0.027(5) Uiso 1 1 d
H13 H 0.741(2) 0.687(2) 0.8235(18) 0.027(5) Uiso 1 1 d
H14 H 0.7137(19) 0.4458(19) 0.7372(16) 0.020(5) Uiso 1 1 d
H17 H 0.011(2) 0.400(2) 0.5967(18) 0.033(6) Uiso 1 1 d
H18 H -0.128(3) 0.207(3) 0.556(2) 0.053(7) Uiso 1 1 d
H19 H -0.041(2) 0.042(3) 0.604(2) 0.043(7) Uiso 1 1 d
H21 H 0.150(3) -0.035(3) 0.687(2) 0.051(7) Uiso 1 1 d
H22 H 0.367(2) 0.007(2) 0.7855(19) 0.036(6) Uiso 1 1 d
H23 H 0.483(2) 0.209(2) 0.8455(18) 0.027(5) Uiso 1 1 d
H24 H 0.472(2) 0.742(2) 0.9398(18) 0.033(6) Uiso 1 1 d
H25 H 0.287(2) 0.562(2) 0.8374(18) 0.034(6) Uiso 1 1 d
H27 H 0.6116(19) 0.400(2) 0.8843(16) 0.022(5) Uiso 1 1 d
H28 H 0.664(2) 0.645(2) 0.9760(17) 0.023(5) Uiso 1 1 d
H29A H 0.161(3) -0.009(3) 0.003(2) 0.057(8) Uiso 1 1 d
H29B H 0.199(3) -0.127(3) 0.037(2) 0.063(9) Uiso 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 '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_3
N2 Zn1 N1 91.27(5) .
N2 Zn1 Cl1 108.35(4) .
N1 Zn1 Cl1 105.47(4) .
N2 Zn1 C11 152.73(6) .
N1 Zn1 C11 79.04(5) .
Cl1 Zn1 C11 98.82(4) .
N2 Zn1 C25 77.63(5) .
N1 Zn1 C25 143.42(5) .
Cl1 Zn1 C25 111.11(4) .
C11 Zn1 C25 95.00(5) .
N2 Zn1 Fe1 113.38(4) .
N1 Zn1 Fe1 109.28(4) .
Cl1 Zn1 Fe1 123.876(15) .
C11 Zn1 Fe1 48.88(4) .
C25 Zn1 Fe1 48.26(4) .
Cl2 Zn2 Cl3 111.62(2) .
Cl2 Zn2 Cl4 115.17(3) .
Cl3 Zn2 Cl4 111.68(2) .
Cl2 Zn2 Cl4 113.70(3) 2_767
Cl3 Zn2 Cl4 110.33(2) 2_767
Cl4 Zn2 Cl4 93.054(18) 2_767
C27 Fe1 C28 40.49(7) .
C27 Fe1 C14 97.16(7) .
C28 Fe1 C14 105.73(7) .
C27 Fe1 C13 111.93(7) .
C28 Fe1 C13 92.70(7) .
C14 Fe1 C13 40.40(7) .
C27 Fe1 C12 149.94(7) .
C28 Fe1 C12 116.26(7) .
C14 Fe1 C12 67.94(7) .
C13 Fe1 C12 40.17(8) .
C27 Fe1 C24 67.93(7) .
C28 Fe1 C24 40.29(7) .
C14 Fe1 C24 141.77(7) .
C13 Fe1 C24 110.75(7) .
C12 Fe1 C24 107.04(7) .
C27 Fe1 C11 158.11(7) .
C28 Fe1 C11 156.48(7) .
C14 Fe1 C11 67.80(7) .
C13 Fe1 C11 67.47(7) .
C12 Fe1 C11 40.25(7) .
C24 Fe1 C11 133.67(7) .
C27 Fe1 C10 117.58(7) .
C28 Fe1 C10 144.19(7) .
C14 Fe1 C10 40.53(6) .
C13 Fe1 C10 68.20(7) .
C12 Fe1 C10 68.50(7) .
C24 Fe1 C10 174.48(7) .
C11 Fe1 C10 40.81(6) .
C27 Fe1 C26 40.42(6) .
C28 Fe1 C26 68.08(7) .
C14 Fe1 C26 123.28(7) .
C13 Fe1 C26 151.92(7) .
C12 Fe1 C26 167.49(7) .
C24 Fe1 C26 68.10(7) .
C11 Fe1 C26 134.94(7) .
C10 Fe1 C26 115.54(6) .
C27 Fe1 C25 67.74(6) .
C28 Fe1 C25 67.45(7) .
C14 Fe1 C25 163.56(7) .
C13 Fe1 C25 150.14(7) .
C12 Fe1 C25 128.44(7) .
C24 Fe1 C25 39.96(7) .
C11 Fe1 C25 124.45(7) .
C10 Fe1 C25 140.17(6) .
C26 Fe1 C25 40.65(6) .
C27 Fe1 Zn1 117.03(5) .
C28 Fe1 Zn1 132.95(5) .
C14 Fe1 Zn1 119.69(5) .
C13 Fe1 Zn1 129.61(5) .
C12 Fe1 Zn1 92.88(5) .
C24 Fe1 Zn1 98.08(5) .
C11 Fe1 Zn1 62.75(5) .
C10 Fe1 Zn1 79.18(4) .
C26 Fe1 Zn1 76.82(4) .
C25 Fe1 Zn1 65.50(5) .
Zn2 Cl4 Zn2 86.946(18) 2_767
C3 N1 C2 118.78(14) .
C3 N1 Zn1 114.80(11) .
C2 N1 Zn1 123.78(11) .
C17 N2 C16 119.40(16) .
C17 N2 Zn1 116.55(12) .
C16 N2 Zn1 120.01(11) .
C9 C1 C2 117.86(15) .
C9 C1 C10 118.91(15) .
C2 C1 C10 122.93(14) .
N1 C2 C6 120.42(15) .
N1 C2 C1 119.90(14) .
C6 C2 C1 119.65(14) .
N1 C3 C4 123.56(17) .
N1 C3 H3 115.8(13) .
C4 C3 H3 120.6(13) .
C5 C4 C3 118.63(17) .
C5 C4 H4 123.3(16) .
C3 C4 H4 118.1(16) .
C4 C5 C6 119.88(16) .
C4 C5 H5 123.7(15) .
C6 C5 H5 116.4(15) .
C5 C6 C7 121.85(16) .
C5 C6 C2 118.31(15) .
C7 C6 C2 119.77(16) .
C8 C7 C6 119.72(17) .
C8 C7 H7 118.9(15) .
C6 C7 H7 121.4(15) .
C7 C8 C9 120.66(17) .
C7 C8 H8 121.1(16) .
C9 C8 H8 118.3(16) .
C1 C9 C8 122.17(17) .
C1 C9 H9 117.0(14) .
C8 C9 H9 120.7(13) .
C14 C10 C11 106.30(15) .
C14 C10 C1 125.41(15) .
C11 C10 C1 128.05(14) .
C14 C10 Fe1 68.87(9) .
C11 C10 Fe1 69.56(9) .
C1 C10 Fe1 130.56(11) .
C12 C11 C10 108.46(15) .
C12 C11 Fe1 69.39(9) .
C10 C11 Fe1 69.64(8) .
C12 C11 Zn1 118.42(11) .
C10 C11 Zn1 96.31(10) .
Fe1 C11 Zn1 68.37(4) .
C12 C11 H11 123.0(14) .
C10 C11 H11 127.3(14) .
Fe1 C11 H11 136.7(13) .
Zn1 C11 H11 70.2(13) .
C13 C12 C11 107.95(16) .
C13 C12 Fe1 69.79(10) .
C11 C12 Fe1 70.36(9) .
C13 C12 H12 127.6(14) .
C11 C12 H12 124.4(14) .
Fe1 C12 H12 125.5(14) .
C12 C13 C14 108.41(16) .
C12 C13 Fe1 70.04(10) .
C14 C13 Fe1 69.58(9) .
C12 C13 H13 126.7(13) .
C14 C13 H13 124.9(13) .
Fe1 C13 H13 125.7(13) .
C13 C14 C10 108.87(16) .
C13 C14 Fe1 70.03(10) .
C10 C14 Fe1 70.61(9) .
C13 C14 H14 124.3(12) .
C10 C14 H14 126.6(12) .
Fe1 C14 H14 120.6(12) .
C23 C15 C16 117.71(15) .
C23 C15 C26 119.71(15) .
C16 C15 C26 122.26(14) .
N2 C16 C20 120.23(16) .
N2 C16 C15 119.92(15) .
C20 C16 C15 119.85(16) .
N2 C17 C18 123.08(19) .
N2 C17 H17 116.5(14) .
C18 C17 H17 120.4(14) .
C19 C18 C17 118.83(18) .
C19 C18 H18 120.3(17) .
C17 C18 H18 120.8(17) .
C18 C19 C20 120.17(19) .
C18 C19 H19 120.7(15) .
C20 C19 H19 119.2(15) .
C21 C20 C19 122.79(18) .
C21 C20 C16 119.35(17) .
C19 C20 C16 117.86(18) .
C22 C21 C20 120.21(18) .
C22 C21 H21 122.6(17) .
C20 C21 H21 117.1(17) .
C21 C22 C23 120.47(18) .
C21 C22 H22 122.1(15) .
C23 C22 H22 117.4(15) .
C15 C23 C22 122.00(18) .
C15 C23 H23 119.7(14) .
C22 C23 H23 118.3(13) .
C28 C24 C25 108.26(16) .
C28 C24 Fe1 69.36(9) .
C25 C24 Fe1 70.94(9) .
C28 C24 H24 124.2(15) .
C25 C24 H24 127.5(15) .
Fe1 C24 H24 123.7(15) .
C24 C25 C26 108.23(15) .
C24 C25 Fe1 69.10(9) .
C26 C25 Fe1 69.68(9) .
C24 C25 Zn1 121.82(11) .
C26 C25 Zn1 89.17(9) .
Fe1 C25 Zn1 66.24(4) .
C24 C25 H25 123.9(14) .
C26 C25 H25 126.7(14) .
Fe1 C25 H25 136.7(14) .
Zn1 C25 H25 73.7(14) .
C27 C26 C25 106.41(14) .
C27 C26 C15 125.19(15) .
C25 C26 C15 127.83(15) .
C27 C26 Fe1 68.37(9) .
C25 C26 Fe1 69.68(9) .
C15 C26 Fe1 133.26(11) .
C28 C27 C26 108.83(15) .
C28 C27 Fe1 69.78(9) .
C26 C27 Fe1 71.22(9) .
C28 C27 H27 126.0(12) .
C26 C27 H27 125.1(12) .
Fe1 C27 H27 122.2(12) .
C24 C28 C27 108.26(15) .
C24 C28 Fe1 70.35(9) .
C27 C28 Fe1 69.73(9) .
C24 C28 H28 125.1(14) .
C27 C28 H28 126.4(14) .
Fe1 C28 H28 121.7(13) .
Cl6 C29 Cl5 110.60(13) .
Cl6 C29 H29A 109.0(18) .
Cl5 C29 H29A 108.3(18) .
Cl6 C29 H29B 106.2(19) .
Cl5 C29 H29B 104.2(19) .
H29A C29 H29B 118(3) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N2 2.0792(14) .
Zn1 N1 2.1224(14) .
Zn1 Cl1 2.2310(4) .
Zn1 C11 2.4501(16) .
Zn1 C25 2.5470(16) .
Zn1 Fe1 2.5619(3) .
Zn2 Cl2 2.2074(6) .
Zn2 Cl3 2.2240(5) .
Zn2 Cl4 2.3275(5) .
Zn2 Cl4 2.3550(5) 2_767
Fe1 C27 2.0508(16) .
Fe1 C28 2.0516(16) .
Fe1 C14 2.0540(17) .
Fe1 C13 2.0600(17) .
Fe1 C12 2.0634(17) .
Fe1 C24 2.0646(16) .
Fe1 C11 2.0762(16) .
Fe1 C10 2.0772(15) .
Fe1 C26 2.0887(15) .
Fe1 C25 2.0888(16) .
Cl4 Zn2 2.3550(5) 2_767
Cl5 C29 1.761(2) .
Cl6 C29 1.758(2) .
N1 C3 1.328(2) .
N1 C2 1.379(2) .
N2 C17 1.326(2) .
N2 C16 1.375(2) .
C1 C9 1.381(2) .
C1 C2 1.429(2) .
C1 C10 1.472(2) .
C2 C6 1.423(2) .
C3 C4 1.404(3) .
C3 H3 0.92(2) .
C4 C5 1.365(3) .
C4 H4 0.90(3) .
C5 C6 1.414(2) .
C5 H5 0.91(2) .
C6 C7 1.416(2) .
C7 C8 1.362(3) .
C7 H7 0.87(2) .
C8 C9 1.404(3) .
C8 H8 0.92(3) .
C9 H9 0.91(2) .
C10 C14 1.431(2) .
C10 C11 1.448(2) .
C11 C12 1.424(2) .
C11 H11 0.91(2) .
C12 C13 1.416(3) .
C12 H12 0.90(2) .
C13 C14 1.421(3) .
C13 H13 0.92(2) .
C14 H14 0.92(2) .
C15 C23 1.386(2) .
C15 C16 1.427(2) .
C15 C26 1.477(2) .
C16 C20 1.424(2) .
C17 C18 1.400(3) .
C17 H17 0.94(2) .
C18 C19 1.361(3) .
C18 H18 0.96(3) .
C19 C20 1.414(3) .
C19 H19 0.95(3) .
C20 C21 1.412(3) .
C21 C22 1.361(3) .
C21 H21 0.92(3) .
C22 C23 1.405(3) .
C22 H22 0.92(2) .
C23 H23 0.93(2) .
C24 C28 1.418(3) .
C24 C25 1.419(2) .
C24 H24 0.89(2) .
C25 C26 1.451(2) .
C25 H25 0.92(2) .
C26 C27 1.430(2) .
C27 C28 1.420(2) .
C27 H27 0.95(2) .
C28 H28 0.88(2) .
C29 H29A 0.92(3) .
C29 H29B 0.92(3) .
