#------------------------------------------------------------------------------
#$Date: 2021-11-06 22:29:50 +0200 (Sat, 06 Nov 2021) $
#$Revision: 270472 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/09/7060965.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_7060965
loop_
_publ_author_name
'Yan, Jian-Feng'
'Men, Rui-Xi'
'Chen, Xiao-Xiao'
'Lin, Cai-Xia'
'Nockemann, Peter'
'Yuan, Yao-Feng'
_publ_section_title
;
 D--π--A type ferrocene-substituted azobenzene photochromic switches:
 synthesis, structures, and electrochemical and photoisomerization studies
;
_journal_issue                   42
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              19917
_journal_page_last               19927
_journal_paper_doi               10.1039/D1NJ03894J
_journal_volume                  45
_journal_year                    2021
_chemical_formula_moiety         'C39 H27 Fe N5'
_chemical_formula_sum            'C39 H27 Fe N5'
_chemical_formula_weight         621.51
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-09-17 deposited with the CCDC.	2021-09-17 downloaded from the CCDC.
;
_cell_angle_alpha                109.1850(10)
_cell_angle_beta                 108.090(2)
_cell_angle_gamma                100.867(4)
_cell_formula_units_Z            2
_cell_length_a                   10.264(4)
_cell_length_b                   12.146(5)
_cell_length_c                   14.131(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      18
_cell_measurement_theta_min      12
_cell_volume                     1496.5(10)
_computing_data_collection       'Bruker SMART'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean None
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  '4-circle diffractometer'
_diffrn_measurement_method       'scintillation counter'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0275
_diffrn_reflns_av_unetI/netI     0.0390
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            14757
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.471
_diffrn_reflns_theta_min         2.166
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        'not measured'
_diffrn_standards_interval_count 'not measured'
_diffrn_standards_interval_time  'not measured'
_diffrn_standards_number         None
_exptl_absorpt_coefficient_mu    0.542
_exptl_absorpt_correction_T_max  0.873
_exptl_absorpt_correction_T_min  0.823
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.379
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       triclinic
_exptl_crystal_F_000             644
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.299
_refine_diff_density_min         -0.268
_refine_diff_density_rms         0.044
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         6759
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0476
_refine_ls_R_factor_gt           0.0418
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0556P)²+0.2740P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1100
_refine_ls_wR_factor_ref         0.1142
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5995
_reflns_number_total             6869
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1nj03894j2.cif
_cod_data_source_block           p-1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'None' was changed
to 'none' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7060964--7060965.cif.
;
_cod_database_code               7060965
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Fe1 Fe 0.74883(3) 0.05872(2) 0.36900(2) 0.04411(10) Uani 1 1 d . . . . .
N3 N 1.78405(16) -0.23706(14) -0.14957(12) 0.0445(3) Uani 1 1 d . . . . .
N2 N 1.24808(16) -0.42334(14) 0.16549(13) 0.0498(4) Uani 1 1 d . . . . .
N1 N 1.14126(18) -0.38868(15) 0.15321(14) 0.0537(4) Uani 1 1 d . . . . .
C31 C 2.0862(2) -0.12249(19) -0.03143(18) 0.0552(5) Uani 1 1 d . . . . .
H31 H 2.0477 -0.1409 -0.1058 0.066 Uiso 1 1 calc R U . . .
C39 C 1.6734(3) -0.2748(2) -0.37056(18) 0.0668(6) Uani 1 1 d . . . . .
H39 H 1.7720 -0.2345 -0.3289 0.080 Uiso 1 1 calc R U . . .
C1 C 0.7250(3) 0.0437(2) 0.21628(18) 0.0680(6) Uani 1 1 d . . . . .
H1 H 0.6569 -0.0201 0.1510 0.082 Uiso 1 1 calc R U . . .
C2 C 0.7058(3) 0.1526(2) 0.2734(2) 0.0705(6) Uani 1 1 d . . . . .
H2 H 0.6230 0.1747 0.2523 0.085 Uiso 1 1 calc R U . . .
C3 C 0.8333(3) 0.2239(2) 0.3688(2) 0.0726(6) Uani 1 1 d . . . . .
H3 H 0.8487 0.3005 0.4219 0.087 Uiso 1 1 calc R U . . .
C4 C 0.9334(2) 0.1582(2) 0.3693(2) 0.0680(6) Uani 1 1 d . . . . .
H4 H 1.0266 0.1841 0.4225 0.082 Uiso 1 1 calc R U . . .
C5 C 0.8666(3) 0.0471(2) 0.2751(2) 0.0655(6) Uani 1 1 d . . . . .
H5 H 0.9081 -0.0138 0.2548 0.079 Uiso 1 1 calc R U . . .
C7 C 0.5830(2) 0.02935(19) 0.41874(17) 0.0536(4) Uani 1 1 d . . . . .
H7 H 0.5037 0.0572 0.4040 0.064 Uiso 1 1 calc R U . . .
C8 C 0.7168(2) 0.09373(19) 0.51073(17) 0.0554(5) Uani 1 1 d . . . . .
H8 H 0.7404 0.1709 0.5662 0.066 Uiso 1 1 calc R U . . .
C9 C 0.8083(2) 0.02041(18) 0.50361(15) 0.0512(4) Uani 1 1 d . . . . .
H9 H 0.9023 0.0406 0.5538 0.061 Uiso 1 1 calc R U . . .
C10 C 0.73055(19) -0.09070(17) 0.40520(15) 0.0457(4) Uani 1 1 d . . . . .
C6 C 0.58957(19) -0.08410(17) 0.35289(16) 0.0490(4) Uani 1 1 d . . . . .
H6 H 0.5161 -0.1435 0.2877 0.059 Uiso 1 1 calc R U . . .
C11 C 0.78677(19) -0.18829(18) 0.36688(15) 0.0476(4) Uani 1 1 d . . . . .
C12 C 0.83557(19) -0.26870(17) 0.33896(15) 0.0469(4) Uani 1 1 d . . . . .
C13 C 0.90486(18) -0.35772(16) 0.30302(14) 0.0440(4) Uani 1 1 d . . . . .
C14 C 0.8953(2) -0.45971(19) 0.32851(17) 0.0542(5) Uani 1 1 d . . . . .
H14 H 0.8396 -0.4742 0.3667 0.065 Uiso 1 1 calc R U . . .
C15 C 0.9696(2) -0.5396(2) 0.29643(19) 0.0613(5) Uani 1 1 d . . . . .
H15 H 0.9623 -0.6081 0.3129 0.074 Uiso 1 1 calc R U . . .
C16 C 1.0538(2) -0.51924(18) 0.24073(18) 0.0546(5) Uani 1 1 d . . . . .
H16 H 1.1053 -0.5719 0.2215 0.065 Uiso 1 1 calc R U . . .
C17 C 1.06053(19) -0.41914(17) 0.21375(15) 0.0465(4) Uani 1 1 d . . . . .
C18 C 0.98502(18) -0.34006(16) 0.24296(15) 0.0464(4) Uani 1 1 d . . . . .
H18 H 0.9879 -0.2747 0.2223 0.056 Uiso 1 1 calc R U . . .
C19 C 1.32916(19) -0.39102(16) 0.10660(14) 0.0455(4) Uani 1 1 d . . . . .
C20 C 1.46907(19) -0.39388(17) 0.14079(15) 0.0475(4) Uani 1 1 d . . . . .
H20 H 1.5042 -0.4182 0.1970 0.057 Uiso 1 1 calc R U . . .
C21 C 1.55720(19) -0.36047(17) 0.09133(14) 0.0462(4) Uani 1 1 d . . . . .
H21 H 1.6521 -0.3614 0.1156 0.055 Uiso 1 1 calc R U . . .
C22 C 1.50651(18) -0.32541(16) 0.00572(14) 0.0427(4) Uani 1 1 d . . . . .
C23 C 1.3634(2) -0.32464(19) -0.02872(16) 0.0519(4) Uani 1 1 d . . . . .
H23 H 1.3270 -0.3021 -0.0860 0.062 Uiso 1 1 calc R U . . .
C24 C 1.2753(2) -0.35684(19) 0.02102(16) 0.0536(5) Uani 1 1 d . . . . .
H24 H 1.1805 -0.3557 -0.0025 0.064 Uiso 1 1 calc R U . . .
C25 C 1.60124(18) -0.29290(16) -0.04783(14) 0.0424(4) Uani 1 1 d . . . . .
C26 C 1.54664(19) -0.31638(16) -0.15855(14) 0.0439(4) Uani 1 1 d . . . . .
H26 H 1.4474 -0.3511 -0.2005 0.053 Uiso 1 1 calc R U . . .
C27 C 1.63987(19) -0.28805(16) -0.20587(14) 0.0437(4) Uani 1 1 d . . . . .
C28 C 1.83748(18) -0.21255(16) -0.04237(14) 0.0432(4) Uani 1 1 d . . . . .
C29 C 1.75087(18) -0.23925(16) 0.01023(14) 0.0441(4) Uani 1 1 d . . . . .
H29 H 1.7923 -0.2215 0.0844 0.053 Uiso 1 1 calc R U . . .
C30 C 1.99748(19) -0.15216(16) 0.01895(15) 0.0447(4) Uani 1 1 d . . . . .
C32 C 2.2334(2) -0.0648(2) 0.0311(2) 0.0633(5) Uani 1 1 d . . . . .
H32 H 2.2952 -0.0434 -0.0008 0.076 Uiso 1 1 calc R U . . .
C33 C 2.2870(2) -0.0394(2) 0.1403(2) 0.0642(6) Uani 1 1 d . . . . .
H33 H 2.3855 -0.0014 0.1837 0.077 Uiso 1 1 calc R U . . .
C34 C 2.1915(2) -0.0716(2) 0.18421(18) 0.0633(5) Uani 1 1 d . . . . .
H34 H 2.2283 -0.0541 0.2584 0.076 Uiso 1 1 calc R U . . .
N4 N 2.04871(17) -0.12677(16) 0.12631(14) 0.0554(4) Uani 1 1 d . . . . .
C35 C 1.5833(2) -0.31178(17) -0.32433(15) 0.0483(4) Uani 1 1 d . . . . .
N5 N 1.44092(19) -0.36993(19) -0.38166(13) 0.0625(5) Uani 1 1 d . . . . .
C36 C 1.3885(3) -0.3907(3) -0.48792(18) 0.0747(7) Uani 1 1 d . . . . .
H36 H 1.2897 -0.4309 -0.5287 0.090 Uiso 1 1 calc R U . . .
C37 C 1.4685(3) -0.3575(3) -0.53980(19) 0.0772(7) Uani 1 1 d . . . . .
H37 H 1.4262 -0.3741 -0.6136 0.093 Uiso 1 1 calc R U . . .
C38 C 1.6141(3) -0.2986(3) -0.4802(2) 0.0842(8) Uani 1 1 d . . . . .
H38 H 1.6728 -0.2748 -0.5134 0.101 Uiso 1 1 calc R U . . .
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'
Fe Fe 0.3463 0.8444 '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
C3 Fe1 C10 161.46(10) . . ?
C3 Fe1 C1 67.95(10) . . ?
C10 Fe1 C1 121.46(9) . . ?
C3 Fe1 C2 40.54(10) . . ?
C10 Fe1 C2 156.37(10) . . ?
C1 Fe1 C2 39.94(10) . . ?
C3 Fe1 C6 155.84(9) . . ?
C10 Fe1 C6 41.29(7) . . ?
C1 Fe1 C6 107.99(9) . . ?
C2 Fe1 C6 121.00(9) . . ?
C3 Fe1 C9 124.17(10) . . ?
C10 Fe1 C9 41.27(8) . . ?
C1 Fe1 C9 157.07(10) . . ?
C2 Fe1 C9 161.23(10) . . ?
C6 Fe1 C9 69.07(8) . . ?
C3 Fe1 C4 40.62(10) . . ?
C10 Fe1 C4 124.57(9) . . ?
C1 Fe1 C4 68.07(10) . . ?
C2 Fe1 C4 68.00(10) . . ?
C6 Fe1 C4 162.10(9) . . ?
C9 Fe1 C4 107.35(9) . . ?
C3 Fe1 C5 67.84(10) . . ?
C10 Fe1 C5 107.91(8) . . ?
C1 Fe1 C5 40.67(9) . . ?
C2 Fe1 C5 67.63(10) . . ?
C6 Fe1 C5 125.63(9) . . ?
C9 Fe1 C5 121.37(9) . . ?
C4 Fe1 C5 40.12(10) . . ?
C3 Fe1 C7 121.02(9) . . ?
C10 Fe1 C7 68.56(8) . . ?
C1 Fe1 C7 125.26(9) . . ?
C2 Fe1 C7 108.26(9) . . ?
C6 Fe1 C7 40.44(8) . . ?
C9 Fe1 C7 68.14(8) . . ?
C4 Fe1 C7 156.05(10) . . ?
C5 Fe1 C7 162.40(10) . . ?
C3 Fe1 C8 107.35(10) . . ?
C10 Fe1 C8 68.77(8) . . ?
C1 Fe1 C8 161.45(10) . . ?
C2 Fe1 C8 124.97(10) . . ?
C6 Fe1 C8 68.50(8) . . ?
C9 Fe1 C8 40.43(8) . . ?
C4 Fe1 C8 120.89(10) . . ?
C5 Fe1 C8 156.03(9) . . ?
C7 Fe1 C8 40.42(8) . . ?
C27 N3 C28 117.55(15) . . ?
N1 N2 C19 112.95(16) . . ?
N2 N1 C17 113.22(16) . . ?
C30 C31 C32 118.7(2) . . ?
C35 C39 C38 118.6(2) . . ?
C2 C1 C5 107.9(2) . . ?
C2 C1 Fe1 70.08(13) . . ?
C5 C1 Fe1 69.95(12) . . ?
C1 C2 C3 108.5(2) . . ?
C1 C2 Fe1 69.98(13) . . ?
C3 C2 Fe1 69.50(13) . . ?
C2 C3 C4 107.8(2) . . ?
C2 C3 Fe1 69.95(12) . . ?
C4 C3 Fe1 70.14(13) . . ?
C5 C4 C3 107.7(2) . . ?
C5 C4 Fe1 69.95(12) . . ?
C3 C4 Fe1 69.24(12) . . ?
C4 C5 C1 108.1(2) . . ?
C4 C5 Fe1 69.93(13) . . ?
C1 C5 Fe1 69.37(12) . . ?
C6 C7 C8 108.96(17) . . ?
C6 C7 Fe1 69.56(11) . . ?
C8 C7 Fe1 69.85(11) . . ?
C9 C8 C7 108.17(18) . . ?
C9 C8 Fe1 69.53(11) . . ?
C7 C8 Fe1 69.73(12) . . ?
C8 C9 C10 107.95(17) . . ?
C8 C9 Fe1 70.04(11) . . ?
C10 C9 Fe1 68.97(10) . . ?
C11 C10 C9 125.37(17) . . ?
C11 C10 C6 127.16(17) . . ?
C9 C10 C6 107.46(16) . . ?
C11 C10 Fe1 125.01(13) . . ?
C9 C10 Fe1 69.76(11) . . ?
C6 C10 Fe1 69.73(10) . . ?
C7 C6 C10 107.46(17) . . ?
C7 C6 Fe1 70.00(11) . . ?
C10 C6 Fe1 68.98(10) . . ?
C12 C11 C10 177.6(2) . . ?
C11 C12 C13 174.10(19) . . ?
C18 C13 C14 119.19(17) . . ?
C18 C13 C12 119.06(16) . . ?
C14 C13 C12 121.74(17) . . ?
C15 C14 C13 119.55(18) . . ?
C16 C15 C14 121.17(18) . . ?
C15 C16 C17 119.00(18) . . ?
C18 C17 C16 120.66(17) . . ?
C18 C17 N1 114.48(16) . . ?
C16 C17 N1 124.85(17) . . ?
C17 C18 C13 120.34(17) . . ?
C20 C19 C24 120.23(17) . . ?
C20 C19 N2 115.57(16) . . ?
C24 C19 N2 124.20(17) . . ?
C19 C20 C21 119.82(17) . . ?
C20 C21 C22 121.25(16) . . ?
C21 C22 C23 118.01(16) . . ?
C21 C22 C25 120.44(15) . . ?
C23 C22 C25 121.54(16) . . ?
C24 C23 C22 120.98(17) . . ?
C23 C24 C19 119.70(17) . . ?
C26 C25 C29 116.83(16) . . ?
C26 C25 C22 122.04(16) . . ?
C29 C25 C22 121.11(15) . . ?
C27 C26 C25 119.99(16) . . ?
N3 C27 C26 122.85(16) . . ?
N3 C27 C35 116.35(16) . . ?
C26 C27 C35 120.79(16) . . ?
N3 C28 C29 122.76(16) . . ?
N3 C28 C30 116.41(16) . . ?
C29 C28 C30 120.82(16) . . ?
C28 C29 C25 120.00(16) . . ?
N4 C30 C31 122.48(17) . . ?
N4 C30 C28 115.59(16) . . ?
C31 C30 C28 121.92(17) . . ?
C33 C32 C31 119.3(2) . . ?
C32 C33 C34 118.4(2) . . ?
N4 C34 C33 123.8(2) . . ?
C34 N4 C30 117.31(18) . . ?
N5 C35 C39 122.44(18) . . ?
N5 C35 C27 116.09(17) . . ?
C39 C35 C27 121.48(18) . . ?
C35 N5 C36 116.7(2) . . ?
N5 C36 C37 124.9(2) . . ?
C36 C37 C38 117.8(2) . . ?
C37 C38 C39 119.6(2) . . ?
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 C3 2.032(2) . ?
Fe1 C10 2.0327(19) . ?
Fe1 C1 2.036(2) . ?
Fe1 C2 2.038(2) . ?
Fe1 C6 2.0428(19) . ?
Fe1 C9 2.043(2) . ?
Fe1 C4 2.044(2) . ?
Fe1 C5 2.044(2) . ?
Fe1 C7 2.049(2) . ?
Fe1 C8 2.050(2) . ?
N3 C27 1.344(2) . ?
N3 C28 1.345(2) . ?
N2 N1 1.230(2) . ?
N2 C19 1.435(2) . ?
N1 C17 1.445(2) . ?
C31 C30 1.383(3) . ?
C31 C32 1.385(3) . ?
C39 C35 1.376(3) . ?
C39 C38 1.381(3) . ?
C1 C2 1.391(3) . ?
C1 C5 1.418(3) . ?
C2 C3 1.410(4) . ?
C3 C4 1.415(3) . ?
C4 C5 1.402(4) . ?
C7 C6 1.414(3) . ?
C7 C8 1.416(3) . ?
C8 C9 1.414(3) . ?
C9 C10 1.436(3) . ?
C10 C11 1.436(3) . ?
C10 C6 1.437(3) . ?
C11 C12 1.189(3) . ?
C12 C13 1.444(3) . ?
C13 C18 1.389(2) . ?
C13 C14 1.394(3) . ?
C14 C15 1.391(3) . ?
C15 C16 1.377(3) . ?
C16 C17 1.385(3) . ?
C17 C18 1.383(3) . ?
C19 C20 1.377(3) . ?
C19 C24 1.393(3) . ?
C20 C21 1.383(3) . ?
C21 C22 1.395(2) . ?
C22 C23 1.400(3) . ?
C22 C25 1.477(2) . ?
C23 C24 1.380(3) . ?
C25 C26 1.395(2) . ?
C25 C29 1.395(2) . ?
C26 C27 1.381(2) . ?
C27 C35 1.496(2) . ?
C28 C29 1.381(2) . ?
C28 C30 1.493(2) . ?
C30 N4 1.345(2) . ?
C32 C33 1.370(3) . ?
C33 C34 1.375(3) . ?
C34 N4 1.338(2) . ?
C35 N5 1.338(3) . ?
N5 C36 1.344(3) . ?
C36 C37 1.348(4) . ?
C37 C38 1.369(4) . ?
