#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:10:58 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179097 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/59/4305958.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_4305958
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                97.690(10)
_cell_angle_beta                 101.923(10)
_cell_angle_gamma                92.229(10)
_cell_formula_units_Z            2
_cell_length_a                   9.5450(10)
_cell_length_b                   9.8540(10)
_cell_length_c                   15.817(2)
_cell_measurement_reflns_used    7132
_cell_measurement_temperature    15(2)
_cell_measurement_theta_max      32.73
_cell_measurement_theta_min      2.79
_cell_volume                     1439.1(3)
_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 0.884
_diffrn_measured_fraction_theta_max 0.884
_diffrn_measurement_device_type  'MAR345 image plate'
_diffrn_measurement_method       'phi scans'
_diffrn_radiation_monochromator  'Si 111'
_diffrn_radiation_source         Synchrotron
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.71000
_diffrn_reflns_av_R_equivalents  0.0172
_diffrn_reflns_av_sigmaI/netI    0.0139
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            8462
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         3.08
_exptl_absorpt_coefficient_mu    0.581
_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    1.538
_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         2.219
_refine_diff_density_min         -1.047
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         4545
_refine_ls_number_restraints     38
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          0.0671
_refine_ls_R_factor_gt           0.0646
_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          0.1539
_refine_ls_wR_factor_ref         0.1557
_reflns_number_gt                4355
_reflns_number_total             4545
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800879c_si_002_5.cif
_cod_data_source_block           feabpt2_15kquenched
_cod_database_code               4305958
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 0.0091(2) Uani 1 2 d S . .
Fe2 Fe 0.0000 0.0000 1.0000 0.0173(2) Uani 1 2 d S . .
N1 N 0.1521(3) 0.9889(3) 0.62114(18) 0.0137(6) Uani 1 1 d . . .
N2 N 0.1813(3) 0.9255(3) 0.45799(17) 0.0129(6) Uani 1 1 d . . .
N3 N 0.2173(3) 0.8854(3) 0.37931(18) 0.0141(6) Uani 1 1 d . . .
N4 N 0.3955(3) 0.8509(3) 0.48566(17) 0.0103(6) Uani 1 1 d . . .
N5 N 0.5297(3) 0.8174(3) 0.53348(18) 0.0136(6) Uani 1 1 d D . .
N6 N 0.5579(3) 0.7476(3) 0.35763(18) 0.0134(6) Uani 1 1 d . . .
N7 N -0.0823(3) 0.7980(2) 0.50025(18) 0.0150(6) Uani 1 1 d D . .
N8 N -0.2344(3) 0.6082(3) 0.52681(18) 0.0184(7) Uani 1 1 d D . .
N9 N -0.3680(3) 0.4126(3) 0.42328(19) 0.0227(7) Uani 1 1 d D . .
N10 N 0.1179(3) 0.1361(3) 1.11505(18) 0.0165(6) Uani 1 1 d . . .
N11 N 0.0349(4) 0.1871(3) 0.95175(18) 0.0182(7) Uani 1 1 d . . .
N12 N 0.0042(3) 0.2337(3) 0.87257(17) 0.0151(6) Uani 1 1 d . . .
N13 N 0.1319(3) 0.3952(3) 0.97119(17) 0.0114(6) Uani 1 1 d . . .
N14 N 0.2181(4) 0.5159(3) 1.01229(19) 0.0198(7) Uani 1 1 d D . .
N15 N 0.1176(3) 0.5766(3) 0.84190(18) 0.0158(6) Uani 1 1 d . . .
N16 N -0.2000(4) 0.0670(3) 1.02235(18) 0.0244(8) Uani 1 1 d D . .
N17 N -0.4376(5) 0.1404(8) 1.0367(5) 0.0576(16) Uani 0.622(6) 1 d PDU . .
N18 N -0.5323(8) 0.3632(6) 1.0222(5) 0.0471(14) Uani 0.622(6) 1 d PDU . .
N17A N -0.3690(7) 0.2315(14) 1.0591(8) 0.0576(16) Uani 0.378(6) 1 d PDU . .
N18A N -0.6137(7) 0.2505(12) 0.9775(6) 0.0471(14) Uani 0.378(6) 1 d PDU . .
C1 C 0.1303(4) 1.0278(3) 0.7015(2) 0.0153(7) Uani 1 1 d . . .
H1 H 0.0420 1.0599 0.7075 0.018(3) Uiso 1 1 calc R . .
C2 C 0.2348(4) 1.0222(3) 0.7766(2) 0.0178(7) Uani 1 1 d . . .
H2 H 0.2174 1.0523 0.8316 0.018(3) Uiso 1 1 calc R . .
C3 C 0.3645(4) 0.9711(3) 0.7681(2) 0.0180(7) Uani 1 1 d . . .
H3 H 0.4351 0.9652 0.8174 0.018(3) Uiso 1 1 calc R . .
C4 C 0.3888(4) 0.9285(3) 0.6851(2) 0.0157(7) Uani 1 1 d . . .
H4 H 0.4752 0.8932 0.6778 0.018(3) Uiso 1 1 calc R . .
C5 C 0.2800(4) 0.9402(3) 0.6135(2) 0.0124(7) Uani 1 1 d . . .
C6 C 0.2891(4) 0.9053(3) 0.5214(2) 0.0114(7) Uani 1 1 d . . .
C7 C 0.3462(4) 0.8394(3) 0.3974(2) 0.0127(7) Uani 1 1 d . . .
C8 C 0.4229(4) 0.7816(3) 0.3301(2) 0.0129(7) Uani 1 1 d . . .
C9 C 0.3523(4) 0.7649(3) 0.2420(2) 0.0153(7) Uani 1 1 d . . .
H9 H 0.2587 0.7898 0.2254 0.018(3) Uiso 1 1 calc R . .
C10 C 0.4266(4) 0.7099(3) 0.1804(2) 0.0181(7) Uani 1 1 d . . .
H10 H 0.3841 0.6994 0.1213 0.018(3) Uiso 1 1 calc R . .
C11 C 0.5648(4) 0.6707(3) 0.2077(2) 0.0175(7) Uani 1 1 d . . .
H11 H 0.6155 0.6313 0.1675 0.018(3) Uiso 1 1 calc R . .
C12 C 0.6257(4) 0.6918(3) 0.2965(2) 0.0162(7) Uani 1 1 d . . .
H12 H 0.7185 0.6658 0.3145 0.018(3) Uiso 1 1 calc R . .
C13 C -0.1555(3) 0.7052(3) 0.50750(19) 0.0126(7) Uani 1 1 d D . .
C14 C -0.3033(3) 0.5069(3) 0.46809(19) 0.0144(7) Uani 1 1 d D . .
C15 C 0.1545(4) 0.1024(3) 1.1953(2) 0.0170(7) Uani 1 1 d . . .
H15 H 0.1274 0.0146 1.2042 0.021(3) Uiso 1 1 calc R . .
C16 C 0.2314(4) 0.1927(4) 1.2661(2) 0.0165(7) Uani 1 1 d . . .
H16 H 0.2536 0.1667 1.3214 0.021(3) Uiso 1 1 calc R . .
C17 C 0.2744(4) 0.3225(4) 1.2525(2) 0.0166(7) Uani 1 1 d . . .
H17 H 0.3270 0.3846 1.2987 0.021(3) Uiso 1 1 calc R . .
C18 C 0.2382(4) 0.3587(3) 1.1696(2) 0.0161(7) Uani 1 1 d . . .
H18 H 0.2661 0.4454 1.1593 0.021(3) Uiso 1 1 calc R . .
C19 C 0.1597(4) 0.2636(3) 1.1020(2) 0.0135(7) Uani 1 1 d . . .
C20 C 0.1114(4) 0.2848(3) 1.0107(2) 0.0143(7) Uani 1 1 d . . .
C21 C 0.0653(4) 0.3596(3) 0.8850(2) 0.0116(7) Uani 1 1 d . . .
C22 C 0.0624(4) 0.4465(3) 0.8162(2) 0.0126(7) Uani 1 1 d . . .
C23 C 0.0051(4) 0.3923(3) 0.7291(2) 0.0129(7) Uani 1 1 d . . .
H23 H -0.0343 0.3023 0.7141 0.021(3) Uiso 1 1 calc R . .
C24 C 0.0084(4) 0.4756(3) 0.6658(2) 0.0165(7) Uani 1 1 d . . .
H24 H -0.0291 0.4425 0.6072 0.021(3) Uiso 1 1 calc R . .
C25 C 0.0688(4) 0.6101(4) 0.6908(2) 0.0198(8) Uani 1 1 d . . .
H25 H 0.0741 0.6677 0.6494 0.021(3) Uiso 1 1 calc R . .
C26 C 0.1208(4) 0.6553(4) 0.7794(2) 0.0215(8) Uani 1 1 d . . .
H26 H 0.1599 0.7452 0.7961 0.021(3) Uiso 1 1 calc R . .
C27 C -0.3086(4) 0.1127(6) 1.0278(3) 0.0530(11) Uani 1 1 d D . .
C28 C -0.4985(5) 0.2508(6) 1.0194(3) 0.0530(11) Uani 1 1 d D . .
H1N H 0.584(4) 0.786(4) 0.493(2) 0.018(3) Uiso 1 1 d D . .
H2N H 0.504(4) 0.735(3) 0.552(3) 0.018(3) Uiso 1 1 d D . .
H3N H 0.195(5) 0.578(3) 0.972(2) 0.021(3) Uiso 1 1 d D . .
H4N H 0.312(3) 0.486(4) 1.014(3) 0.021(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 180.00(13) 2_576 . ?
N2 Fe1 N7 89.03(11) 2_576 . ?
N2 Fe1 N7 90.97(11) . . ?
N2 Fe1 N7 90.97(11) 2_576 2_576 ?
N2 Fe1 N7 89.03(11) . 2_576 ?
N7 Fe1 N7 180.00(15) . 2_576 ?
N2 Fe1 N1 103.46(10) 2_576 . ?
N2 Fe1 N1 76.54(10) . . ?
N7 Fe1 N1 89.82(10) . . ?
N7 Fe1 N1 90.18(10) 2_576 . ?
N2 Fe1 N1 76.54(10) 2_576 2_576 ?
N2 Fe1 N1 103.46(10) . 2_576 ?
N7 Fe1 N1 90.18(10) . 2_576 ?
N7 Fe1 N1 89.82(10) 2_576 2_576 ?
N1 Fe1 N1 180.000(1) . 2_576 ?
N16 Fe2 N16 180.00(15) . 2_557 ?
N16 Fe2 N11 91.21(12) . 2_557 ?
N16 Fe2 N11 88.79(12) 2_557 2_557 ?
N16 Fe2 N11 88.79(12) . . ?
N16 Fe2 N11 91.21(12) 2_557 . ?
N11 Fe2 N11 180.000(1) 2_557 . ?
N16 Fe2 N10 91.71(12) . . ?
N16 Fe2 N10 88.29(12) 2_557 . ?
N11 Fe2 N10 103.72(10) 2_557 . ?
N11 Fe2 N10 76.28(10) . . ?
N16 Fe2 N10 88.29(12) . 2_557 ?
N16 Fe2 N10 91.71(12) 2_557 2_557 ?
N11 Fe2 N10 76.28(11) 2_557 2_557 ?
N11 Fe2 N10 103.72(10) . 2_557 ?
N10 Fe2 N10 180.000(1) . 2_557 ?
C1 N1 C5 118.1(3) . . ?
C1 N1 Fe1 125.6(2) . . ?
C5 N1 Fe1 116.3(2) . . ?
C6 N2 N3 108.8(3) . . ?
C6 N2 Fe1 114.8(2) . . ?
N3 N2 Fe1 136.3(2) . . ?
C7 N3 N2 106.3(3) . . ?
C6 N4 C7 105.6(3) . . ?
C6 N4 N5 125.2(3) . . ?
C7 N4 N5 129.3(3) . . ?
N4 N5 H1N 107(3) . . ?
N4 N5 H2N 102(3) . . ?
H1N N5 H2N 101(3) . . ?
C12 N6 C8 117.1(3) . . ?
C13 N7 Fe1 162.4(3) . . ?
C13 N8 C14 122.9(3) . . ?
C15 N10 C19 118.4(3) . . ?
C15 N10 Fe2 125.2(2) . . ?
C19 N10 Fe2 116.3(2) . . ?
C20 N11 N12 109.0(3) . . ?
C20 N11 Fe2 114.3(2) . . ?
N12 N11 Fe2 136.5(2) . . ?
C21 N12 N11 106.5(3) . . ?
C20 N13 C21 106.2(3) . . ?
C20 N13 N14 124.6(3) . . ?
C21 N13 N14 128.9(3) . . ?
N13 N14 H3N 103(3) . . ?
N13 N14 H4N 102(3) . . ?
H3N N14 H4N 112(4) . . ?
C26 N15 C22 117.2(3) . . ?
C27 N16 Fe2 172.7(3) . . ?
N17A N17 C27 71.8(7) . . ?
N17A N17 C28 66.2(5) . . ?
C27 N17 C28 125.3(7) . . ?
C28 N18 N18A 54.3(4) . . ?
N17 N17A C28 65.2(5) . . ?
N17 N17A C27 62.0(7) . . ?
C28 N17A C27 116.9(9) . . ?
C28 N18A N18 54.5(4) . . ?
N1 C1 C2 122.5(3) . . ?
N1 C1 H1 118.7 . . ?
C2 C1 H1 118.7 . . ?
C3 C2 C1 118.9(3) . . ?
C3 C2 H2 120.6 . . ?
C1 C2 H2 120.6 . . ?
C2 C3 C4 119.5(3) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C5 C4 C3 118.0(3) . . ?
C5 C4 H4 121.0 . . ?
C3 C4 H4 121.0 . . ?
N1 C5 C4 122.9(3) . . ?
N1 C5 C6 111.7(3) . . ?
C4 C5 C6 125.3(3) . . ?
N2 C6 N4 108.9(3) . . ?
N2 C6 C5 120.6(3) . . ?
N4 C6 C5 130.5(3) . . ?
N3 C7 N4 110.4(3) . . ?
N3 C7 C8 123.7(3) . . ?
N4 C7 C8 125.9(3) . . ?
N6 C8 C9 123.6(3) . . ?
N6 C8 C7 117.3(3) . . ?
C9 C8 C7 119.0(3) . . ?
C10 C9 C8 117.8(3) . . ?
C10 C9 H9 121.1 . . ?
C8 C9 H9 121.1 . . ?
C9 C10 C11 119.5(3) . . ?
C9 C10 H10 120.3 . . ?
C11 C10 H10 120.3 . . ?
C10 C11 C12 118.4(3) . . ?
C10 C11 H11 120.8 . . ?
C12 C11 H11 120.8 . . ?
N6 C12 C11 123.6(3) . . ?
N6 C12 H12 118.2 . . ?
C11 C12 H12 118.2 . . ?
N7 C13 N8 172.2(3) . . ?
N9 C14 N8 173.2(3) . . ?
N10 C15 C16 122.8(3) . . ?
N10 C15 H15 118.6 . . ?
C16 C15 H15 118.6 . . ?
C17 C16 C15 118.6(3) . . ?
C17 C16 H16 120.7 . . ?
C15 C16 H16 120.7 . . ?
C18 C17 C16 119.3(3) . . ?
C18 C17 H17 120.3 . . ?
C16 C17 H17 120.3 . . ?
C17 C18 C19 119.0(3) . . ?
C17 C18 H18 120.5 . . ?
C19 C18 H18 120.5 . . ?
N10 C19 C18 121.9(3) . . ?
N10 C19 C20 111.9(3) . . ?
C18 C19 C20 126.2(3) . . ?
N11 C20 N13 108.6(3) . . ?
N11 C20 C19 121.1(3) . . ?
N13 C20 C19 130.3(3) . . ?
N12 C21 N13 109.6(3) . . ?
N12 C21 C22 124.7(3) . . ?
N13 C21 C22 125.7(3) . . ?
N15 C22 C23 123.4(3) . . ?
N15 C22 C21 116.7(3) . . ?
C23 C22 C21 119.9(3) . . ?
C24 C23 C22 118.4(3) . . ?
C24 C23 H23 120.8 . . ?
C22 C23 H23 120.8 . . ?
C23 C24 C25 119.2(3) . . ?
C23 C24 H24 120.4 . . ?
C25 C24 H24 120.4 . . ?
C26 C25 C24 118.2(3) . . ?
C26 C25 H25 120.9 . . ?
C24 C25 H25 120.9 . . ?
N15 C26 C25 123.7(3) . . ?
N15 C26 H26 118.2 . . ?
C25 C26 H26 118.2 . . ?
N16 C27 N17 169.0(7) . . ?
N16 C27 N17A 142.9(7) . . ?
N17 C27 N17A 46.2(5) . . ?
N18A C28 N18 71.3(7) . . ?
N18A C28 N17A 170.6(10) . . ?
N18 C28 N17A 117.6(9) . . ?
N18A C28 N17 123.2(8) . . ?
N18 C28 N17 164.0(7) . . ?
N17A C28 N17 48.6(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 2.102(3) 2_576 ?
Fe1 N2 2.102(3) . ?
Fe1 N7 2.112(2) . ?
Fe1 N7 2.112(2) 2_576 ?
Fe1 N1 2.170(3) . ?
Fe1 N1 2.170(3) 2_576 ?
Fe2 N16 2.126(3) . ?
Fe2 N16 2.126(3) 2_557 ?
Fe2 N11 2.128(3) 2_557 ?
Fe2 N11 2.128(3) . ?
Fe2 N10 2.182(3) . ?
Fe2 N10 2.182(3) 2_557 ?
N1 C1 1.339(4) . ?
N1 C5 1.351(5) . ?
N2 C6 1.322(4) . ?
N2 N3 1.370(4) . ?
N3 C7 1.317(5) . ?
N4 C6 1.355(4) . ?
N4 C7 1.366(4) . ?
N4 N5 1.422(4) . ?
N5 H1N 0.936(19) . ?
N5 H2N 0.937(19) . ?
N6 C12 1.342(5) . ?
N6 C8 1.343(5) . ?
N7 C13 1.1610(19) . ?
N8 C13 1.3007(19) . ?
N8 C14 1.319(4) . ?
N9 C14 1.1596(19) . ?
N10 C15 1.335(4) . ?
N10 C19 1.358(4) . ?
N11 C20 1.324(4) . ?
N11 N12 1.370(4) . ?
N12 C21 1.322(4) . ?
N13 C20 1.352(4) . ?
N13 C21 1.372(4) . ?
N13 N14 1.418(4) . ?
N14 H3N 0.937(19) . ?
N14 H4N 0.954(19) . ?
N15 C26 1.340(5) . ?
N15 C22 1.344(4) . ?
N16 C27 1.161(2) . ?
N17 N17A 1.064(14) . ?
N17 C27 1.3022(15) . ?
N17 C28 1.288(8) . ?
N18 C28 1.163(2) . ?
N18 N18A 1.354(12) . ?
N17A C28 1.2989(15) . ?
N17A C27 1.401(13) . ?
N18A C28 1.161(2) . ?
C1 C2 1.394(5) . ?
C1 H1 0.9300 . ?
C2 C3 1.379(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.393(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.391(5) . ?
C4 H4 0.9300 . ?
C5 C6 1.472(4) . ?
C7 C8 1.479(5) . ?
C8 C9 1.402(5) . ?
C9 C10 1.385(5) . ?
C9 H9 0.9300 . ?
C10 C11 1.388(5) . ?
C10 H10 0.9300 . ?
C11 C12 1.388(5) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C15 C16 1.388(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.385(5) . ?
C16 H16 0.9300 . ?
C17 C18 1.383(5) . ?
C17 H17 0.9300 . ?
C18 C19 1.389(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.469(5) . ?
C21 C22 1.469(4) . ?
C22 C23 1.397(5) . ?
C23 C24 1.381(5) . ?
C23 H23 0.9300 . ?
C24 C25 1.397(5) . ?
C24 H24 0.9300 . ?
C25 C26 1.391(5) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
