#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:10:58 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179097 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/59/4305959.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_4305959
loop_
_publ_author_name
'Chou-Fu Sheu'
'Sébastien Pillet'
'Yen-Chen Lin'
'Szu-Miao Chen'
'I-Jui Hsu'
'Claude Lecomte'
'Yu Wang'
_publ_contact_author             'Yu Wang'
_publ_contact_author_email       wangyu@ntu.edu.tw
_publ_section_title
;
Magnetostructural Relationship in the Spin-Crossover Complex
t-{Fe(abpt)2[N(CN)2]2}: Polymorphism and Disorder Phenomenon
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10866
_journal_page_last               10874
_journal_paper_doi               10.1021/ic800879c
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C28 H20 Fe N18'
_chemical_formula_sum            'C28 H20 Fe N18'
_chemical_formula_weight         664.47
_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                97.745(10)
_cell_angle_beta                 102.057(10)
_cell_angle_gamma                91.816(10)
_cell_formula_units_Z            2
_cell_length_a                   9.6395(9)
_cell_length_b                   9.821(2)
_cell_length_c                   15.738(3)
_cell_measurement_reflns_used    7099
_cell_measurement_temperature    15(2)
_cell_measurement_theta_max      30.02
_cell_measurement_theta_min      4.25
_cell_volume                     1441.0(4)
_computing_cell_refinement       'DENZO (Otwinowski, 1996)'
_computing_data_collection       'COLLECT (Otwinowski, 1996)'
_computing_data_reduction        'SORTAV (Blessing, 1989)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      15(2)
_diffrn_measured_fraction_theta_full 0.842
_diffrn_measured_fraction_theta_max 0.842
_diffrn_measurement_device_type  'Oxford Xcalibur CCD'
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.1343
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7099
_diffrn_reflns_theta_full        30.02
_diffrn_reflns_theta_max         30.02
_diffrn_reflns_theta_min         4.25
_exptl_absorpt_coefficient_mu    0.580
_exptl_absorpt_correction_T_max  0.93
_exptl_absorpt_correction_T_min  0.92
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
Absorption correction were performed using ABSORB (DeTitta,1985)
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cubic
_exptl_crystal_F_000             680
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.19
_refine_diff_density_max         2.039
_refine_diff_density_min         -0.831
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.822
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         7099
_refine_ls_number_restraints     38
_refine_ls_restrained_S_all      0.822
_refine_ls_R_factor_all          0.1169
_refine_ls_R_factor_gt           0.0679
_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)+(0.0655P)²+5.1429P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1531
_refine_ls_wR_factor_ref         0.1799
_reflns_number_gt                4201
_reflns_number_total             7099
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800879c_si_002_6.cif
_cod_data_source_block           feabpt2_liesst
_cod_original_cell_volume        1441.1(4)
_cod_database_code               4305959
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
Fe1 Fe 0.0000 1.0000 0.5000 0.01203(18) Uani 1 2 d S . .
Fe2 Fe 1.0000 0.0000 1.0000 0.0218(2) Uani 1 2 d S . .
N1 N 0.1555(3) 0.9881(3) 0.62283(19) 0.0134(6) Uani 1 1 d . . .
N2 N 0.1832(3) 0.9249(3) 0.45807(19) 0.0144(6) Uani 1 1 d . . .
N3 N 0.2193(3) 0.8841(3) 0.37942(19) 0.0140(6) Uani 1 1 d . . .
N4 N 0.3964(3) 0.8512(3) 0.48621(19) 0.0133(6) Uani 1 1 d . . .
N5 N 0.5297(3) 0.8176(3) 0.5339(2) 0.0138(6) Uani 1 1 d D . .
N6 N 0.5581(3) 0.7481(3) 0.35729(19) 0.0145(6) Uani 1 1 d . . .
N7 N -0.0820(3) 0.7938(3) 0.5000(2) 0.0155(6) Uani 1 1 d D . .
N8 N -0.2367(3) 0.6074(3) 0.52635(19) 0.0175(7) Uani 1 1 d D . .
N9 N -0.3705(4) 0.4124(3) 0.4231(2) 0.0228(7) Uani 1 1 d D . .
N10 N 1.1189(4) 0.1380(3) 1.11544(19) 0.0172(7) Uani 1 1 d . . .
N11 N 1.0351(4) 0.1887(3) 0.9514(2) 0.0208(7) Uani 1 1 d . . .
N12 N 1.0044(4) 0.2350(3) 0.87129(19) 0.0170(7) Uani 1 1 d . . .
N13 N 1.1327(3) 0.3961(3) 0.97061(19) 0.0121(6) Uani 1 1 d . . .
N14 N 1.2186(4) 0.5161(3) 1.0110(2) 0.0207(7) Uani 1 1 d D . .
N15 N 1.1182(3) 0.5772(3) 0.8405(2) 0.0158(6) Uani 1 1 d . . .
N16 N 0.8004(4) 0.0688(3) 1.0229(2) 0.0250(8) Uani 1 1 d D . .
N17 N 0.5608(5) 0.1363(10) 1.0300(6) 0.0590(19) Uani 0.593(6) 1 d PDU . .
N18 N 0.4678(9) 0.3637(7) 1.0221(5) 0.0504(16) Uani 0.593(6) 1 d PDU . .
N17A N 0.6270(7) 0.2287(14) 1.0600(8) 0.0590(19) Uani 0.407(6) 1 d PDU . .
N18A N 0.3841(7) 0.2490(12) 0.9787(7) 0.0504(16) Uani 0.407(6) 1 d PDU . .
C1 C 0.1345(4) 1.0278(4) 0.7036(2) 0.0142(7) Uani 1 1 d . . .
H1 H 0.0469 1.0600 0.7096 0.011(3) Uiso 1 1 calc R . .
C2 C 0.2383(4) 1.0227(4) 0.7789(2) 0.0151(7) Uani 1 1 d . . .
H2 H 0.2216 1.0529 0.8342 0.011(3) Uiso 1 1 calc R . .
C3 C 0.3672(4) 0.9716(4) 0.7693(2) 0.0166(8) Uani 1 1 d . . .
H3 H 0.4381 0.9659 0.8186 0.011(3) Uiso 1 1 calc R . .
C4 C 0.3908(4) 0.9289(4) 0.6861(2) 0.0150(7) Uani 1 1 d . . .
H4 H 0.4766 0.8939 0.6786 0.011(3) Uiso 1 1 calc R . .
C5 C 0.2819(4) 0.9401(3) 0.6141(2) 0.0136(7) Uani 1 1 d . . .
C6 C 0.2916(4) 0.9052(3) 0.5220(2) 0.0133(7) Uani 1 1 d . . .
C7 C 0.3481(4) 0.8387(4) 0.3972(2) 0.0140(7) Uani 1 1 d . . .
C8 C 0.4238(4) 0.7808(3) 0.3302(2) 0.0133(7) Uani 1 1 d . . .
C9 C 0.3531(4) 0.7625(4) 0.2420(2) 0.0157(7) Uani 1 1 d . . .
H9 H 0.2601 0.7871 0.2252 0.011(3) Uiso 1 1 calc R . .
C10 C 0.4269(4) 0.7065(4) 0.1808(2) 0.0172(8) Uani 1 1 d . . .
H10 H 0.3841 0.6939 0.1214 0.011(3) Uiso 1 1 calc R . .
C11 C 0.5649(4) 0.6689(4) 0.2080(2) 0.0177(8) Uani 1 1 d . . .
H11 H 0.6148 0.6292 0.1674 0.011(3) Uiso 1 1 calc R . .
C12 C 0.6265(4) 0.6917(4) 0.2963(2) 0.0160(7) Uani 1 1 d . . .
H12 H 0.7193 0.6671 0.3145 0.011(3) Uiso 1 1 calc R . .
C13 C -0.1564(3) 0.7027(3) 0.5073(2) 0.0125(7) Uani 1 1 d D . .
C14 C -0.3060(4) 0.5065(3) 0.4678(2) 0.0146(7) Uani 1 1 d D . .
C15 C 1.1555(4) 0.1054(4) 1.1962(2) 0.0161(8) Uani 1 1 d . . .
H15 H 1.1287 0.0177 1.2055 0.018(3) Uiso 1 1 calc R . .
C16 C 1.2317(4) 0.1959(4) 1.2671(2) 0.0140(7) Uani 1 1 d . . .
H16 H 1.2541 0.1702 1.3229 0.018(3) Uiso 1 1 calc R . .
C17 C 1.2735(4) 0.3252(4) 1.2527(2) 0.0164(8) Uani 1 1 d . . .
H17 H 1.3261 0.3875 1.2988 0.018(3) Uiso 1 1 calc R . .
C18 C 1.2366(4) 0.3620(4) 1.1690(2) 0.0156(7) Uani 1 1 d . . .
H18 H 1.2626 0.4489 1.1582 0.018(3) Uiso 1 1 calc R . .
C19 C 1.1592(4) 0.2644(3) 1.1018(2) 0.0136(7) Uani 1 1 d . . .
C20 C 1.1108(4) 0.2866(4) 1.0098(2) 0.0143(7) Uani 1 1 d . . .
C21 C 1.0653(4) 0.3603(3) 0.8841(2) 0.0124(7) Uani 1 1 d . . .
C22 C 1.0629(4) 0.4469(3) 0.8145(2) 0.0120(7) Uani 1 1 d . . .
C23 C 1.0052(4) 0.3926(4) 0.7271(2) 0.0147(7) Uani 1 1 d . . .
H23 H 0.9655 0.3028 0.7120 0.018(3) Uiso 1 1 calc R . .
C24 C 1.0090(4) 0.4763(4) 0.6640(2) 0.0163(8) Uani 1 1 d . . .
H24 H 0.9716 0.4437 0.6051 0.018(3) Uiso 1 1 calc R . .
C25 C 1.0690(4) 0.6098(4) 0.6890(3) 0.0190(8) Uani 1 1 d . . .
H25 H 1.0740 0.6674 0.6473 0.018(3) Uiso 1 1 calc R . .
C26 C 1.1213(5) 0.6552(4) 0.7774(3) 0.0209(8) Uani 1 1 d . . .
H26 H 1.1608 0.7449 0.7939 0.018(3) Uiso 1 1 calc R . .
C27 C 0.6918(5) 0.1141(7) 1.0262(4) 0.0556(13) Uani 1 1 d D . .
C28 C 0.5001(5) 0.2504(7) 1.0185(3) 0.0556(13) Uani 1 1 d D . .
H1N H 0.586(4) 0.794(4) 0.493(2) 0.011(3) Uiso 1 1 d D . .
H2N H 0.506(4) 0.735(3) 0.551(2) 0.011(3) Uiso 1 1 d D . .
H3N H 1.194(4) 0.576(4) 0.969(2) 0.018(3) Uiso 1 1 d D . .
H4N H 1.314(2) 0.492(4) 1.017(3) 0.018(3) Uiso 1 1 d D . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 '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'
H H 0.0000 0.0000 '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 Fe1 N2 180.000(1) 2_576 . ?
N2 Fe1 N7 88.81(11) 2_576 . ?
N2 Fe1 N7 91.19(11) . . ?
N2 Fe1 N7 91.19(11) 2_576 2_576 ?
N2 Fe1 N7 88.81(11) . 2_576 ?
N7 Fe1 N7 180.000(1) . 2_576 ?
N2 Fe1 N1 104.49(11) 2_576 . ?
N2 Fe1 N1 75.51(12) . . ?
N7 Fe1 N1 90.10(11) . . ?
N7 Fe1 N1 89.90(11) 2_576 . ?
N2 Fe1 N1 75.51(12) 2_576 2_576 ?
N2 Fe1 N1 104.49(11) . 2_576 ?
N7 Fe1 N1 89.90(11) . 2_576 ?
N7 Fe1 N1 90.10(11) 2_576 2_576 ?
N1 Fe1 N1 180.000(1) . 2_576 ?
N11 Fe2 N11 180.000(1) . 2_757 ?
N11 Fe2 N16 90.98(13) . 2_757 ?
N11 Fe2 N16 89.02(13) 2_757 2_757 ?
N11 Fe2 N16 89.02(13) . . ?
N11 Fe2 N16 90.98(13) 2_757 . ?
N16 Fe2 N16 180.000(1) 2_757 . ?
N11 Fe2 N10 104.38(11) . 2_757 ?
N11 Fe2 N10 75.62(11) 2_757 2_757 ?
N16 Fe2 N10 92.00(13) 2_757 2_757 ?
N16 Fe2 N10 88.00(13) . 2_757 ?
N11 Fe2 N10 75.62(11) . . ?
N11 Fe2 N10 104.38(11) 2_757 . ?
N16 Fe2 N10 88.00(13) 2_757 . ?
N16 Fe2 N10 92.00(13) . . ?
N10 Fe2 N10 180.000(1) 2_757 . ?
C1 N1 C5 118.7(3) . . ?
C1 N1 Fe1 125.0(3) . . ?
C5 N1 Fe1 116.3(2) . . ?
C6 N2 N3 108.3(3) . . ?
C6 N2 Fe1 115.4(2) . . ?
N3 N2 Fe1 136.2(2) . . ?
C7 N3 N2 107.0(3) . . ?
C7 N4 C6 106.1(3) . . ?
C7 N4 N5 128.6(3) . . ?
C6 N4 N5 125.3(3) . . ?
N4 N5 H1N 107(3) . . ?
N4 N5 H2N 102(3) . . ?
H1N N5 H2N 105(3) . . ?
C12 N6 C8 117.9(3) . . ?
C13 N7 Fe1 160.9(3) . . ?
C13 N8 C14 123.3(3) . . ?
C15 N10 C19 118.4(3) . . ?
C15 N10 Fe2 125.2(2) . . ?
C19 N10 Fe2 116.4(2) . . ?
C20 N11 N12 108.8(3) . . ?
C20 N11 Fe2 115.0(2) . . ?
N12 N11 Fe2 136.2(2) . . ?
C21 N12 N11 106.0(3) . . ?
C20 N13 C21 105.5(3) . . ?
C20 N13 N14 125.4(3) . . ?
C21 N13 N14 128.8(3) . . ?
N13 N14 H3N 102(3) . . ?
N13 N14 H4N 107(3) . . ?
H3N N14 H4N 112(4) . . ?
C26 N15 C22 116.8(3) . . ?
C27 N16 Fe2 171.5(3) . . ?
N17A N17 C27 71.3(7) . . ?
N17A N17 C28 65.4(5) . . ?
C27 N17 C28 125.4(7) . . ?
C28 N18 N18A 53.7(4) . . ?
N17 N17A C28 65.2(6) . . ?
N17 N17A C27 61.6(7) . . ?
C28 N17A C27 117.5(10) . . ?
C28 N18A N18 53.8(4) . . ?
N1 C1 C2 122.6(3) . . ?
N1 C1 H1 118.7 . . ?
C2 C1 H1 118.7 . . ?
C3 C2 C1 118.2(3) . . ?
C3 C2 H2 120.9 . . ?
C1 C2 H2 120.9 . . ?
C4 C3 C2 120.0(3) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C5 117.9(3) . . ?
C3 C4 H4 121.0 . . ?
C5 C4 H4 121.0 . . ?
N1 C5 C4 122.4(3) . . ?
N1 C5 C6 112.7(3) . . ?
C4 C5 C6 124.8(3) . . ?
N2 C6 N4 109.0(3) . . ?
N2 C6 C5 120.0(3) . . ?
N4 C6 C5 130.9(3) . . ?
N3 C7 N4 109.6(3) . . ?
N3 C7 C8 124.2(3) . . ?
N4 C7 C8 126.2(3) . . ?
N6 C8 C9 123.4(4) . . ?
N6 C8 C7 117.8(3) . . ?
C9 C8 C7 118.8(4) . . ?
C10 C9 C8 117.4(4) . . ?
C10 C9 H9 121.3 . . ?
C8 C9 H9 121.3 . . ?
C9 C10 C11 120.0(3) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C12 C11 C10 118.6(4) . . ?
C12 C11 H11 120.7 . . ?
C10 C11 H11 120.7 . . ?
N6 C12 C11 122.7(4) . . ?
N6 C12 H12 118.7 . . ?
C11 C12 H12 118.7 . . ?
N7 C13 N8 172.4(4) . . ?
N9 C14 N8 173.3(4) . . ?
N10 C15 C16 123.1(3) . . ?
N10 C15 H15 118.4 . . ?
C16 C15 H15 118.4 . . ?
C17 C16 C15 118.3(3) . . ?
C17 C16 H16 120.9 . . ?
C15 C16 H16 120.9 . . ?
C18 C17 C16 119.8(3) . . ?
C18 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
C17 C18 C19 117.9(3) . . ?
C17 C18 H18 121.0 . . ?
C19 C18 H18 121.0 . . ?
N10 C19 C18 122.6(3) . . ?
N10 C19 C20 112.5(3) . . ?
C18 C19 C20 124.9(3) . . ?
N11 C20 N13 109.4(3) . . ?
N11 C20 C19 120.4(3) . . ?
N13 C20 C19 130.2(3) . . ?
N12 C21 N13 110.3(3) . . ?
N12 C21 C22 124.3(3) . . ?
N13 C21 C22 125.5(3) . . ?
N15 C22 C23 123.7(3) . . ?
N15 C22 C21 116.4(3) . . ?
C23 C22 C21 119.9(3) . . ?
C24 C23 C22 117.8(3) . . ?
C24 C23 H23 121.1 . . ?
C22 C23 H23 121.1 . . ?
C23 C24 C25 119.5(3) . . ?
C23 C24 H24 120.3 . . ?
C25 C24 H24 120.3 . . ?
C26 C25 C24 118.5(3) . . ?
C26 C25 H25 120.8 . . ?
C24 C25 H25 120.8 . . ?
N15 C26 C25 123.7(3) . . ?
N15 C26 H26 118.2 . . ?
C25 C26 H26 118.2 . . ?
N16 C27 N17 167.1(7) . . ?
N16 C27 N17A 143.9(7) . . ?
N17 C27 N17A 47.1(5) . . ?
N18 C28 N18A 72.6(8) . . ?
N18 C28 N17A 117.4(9) . . ?
N18A C28 N17A 170.0(11) . . ?
N18 C28 N17 166.2(8) . . ?
N18A C28 N17 120.6(9) . . ?
N17A C28 N17 49.4(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
Fe1 N2 2.130(3) 2_576 ?
Fe1 N2 2.130(3) . ?
Fe1 N7 2.151(2) . ?
Fe1 N7 2.151(2) 2_576 ?
Fe1 N1 2.204(3) . ?
Fe1 N1 2.204(3) 2_576 ?
Fe2 N11 2.141(3) . ?
Fe2 N11 2.141(3) 2_757 ?
Fe2 N16 2.143(4) 2_757 ?
Fe2 N16 2.143(4) . ?
Fe2 N10 2.195(3) 2_757 ?
Fe2 N10 2.195(3) . ?
N1 C1 1.337(5) . ?
N1 C5 1.347(5) . ?
N2 C6 1.330(5) . ?
N2 N3 1.367(4) . ?
N3 C7 1.320(5) . ?
N4 C7 1.369(4) . ?
N4 C6 1.345(5) . ?
N4 N5 1.419(4) . ?
N5 H1N 0.937(19) . ?
N5 H2N 0.926(19) . ?
N6 C12 1.345(5) . ?
N6 C8 1.339(5) . ?
N7 C13 1.1609(18) . ?
N8 C13 1.3009(18) . ?
N8 C14 1.316(4) . ?
N9 C14 1.1584(19) . ?
N10 C15 1.331(5) . ?
N10 C19 1.347(4) . ?
N11 C20 1.320(4) . ?
N11 N12 1.375(4) . ?
N12 C21 1.319(4) . ?
N13 C20 1.343(4) . ?
N13 C21 1.374(4) . ?
N13 N14 1.412(4) . ?
N14 H3N 0.937(19) . ?
N14 H4N 0.943(19) . ?
N15 C26 1.337(5) . ?
N15 C22 1.346(4) . ?
N16 C27 1.159(2) . ?
N17 N17A 1.084(14) . ?
N17 C27 1.3013(14) . ?
N17 C28 1.296(10) . ?
N18 C28 1.162(2) . ?
N18 N18A 1.375(13) . ?
N17A C28 1.2988(15) . ?
N17A C27 1.401(13) . ?
N18A C28 1.161(2) . ?
C1 C2 1.390(5) . ?
C1 H1 0.9300 . ?
C2 C3 1.385(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.387(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.394(5) . ?
C4 H4 0.9300 . ?
C5 C6 1.467(5) . ?
C7 C8 1.467(5) . ?
C8 C9 1.398(5) . ?
C9 C10 1.380(5) . ?
C9 H9 0.9300 . ?
C10 C11 1.387(6) . ?
C10 H10 0.9300 . ?
C11 C12 1.378(5) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C15 C16 1.387(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.382(5) . ?
C16 H16 0.9300 . ?
C17 C18 1.390(5) . ?
C17 H17 0.9300 . ?
C18 C19 1.395(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.473(5) . ?
C21 C22 1.472(5) . ?
C22 C23 1.397(5) . ?
C23 C24 1.377(5) . ?
C23 H23 0.9300 . ?
C24 C25 1.388(5) . ?
C24 H24 0.9300 . ?
C25 C26 1.384(6) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
