#------------------------------------------------------------------------------
#$Date: 2019-11-17 10:05:33 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229253 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/54/7045428.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_7045428
loop_
_publ_author_name
'Ypsilantis, Konstantinos'
'Plakatouras, John C.'
'Manos, Manolis J.'
'Kourtellaris, Andreas'
'Markopoulos, Georgios'
'Kolettas, Evangelos'
'Garoufis, Achilleas'
_publ_section_title
;
 Stepwise synthesis, characterization, DNA binding properties and
 cytotoxicity of diruthenium oligopyridine compounds conjugated with
 peptides.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3549
_journal_page_last               3567
_journal_paper_doi               10.1039/c7dt04639a
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C60 H42 F24 N12 P4 Ru2'
_chemical_formula_weight         1713.07
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2017-12-04 deposited with the CCDC.
2018-01-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.180(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.9492(14)
_cell_length_b                   33.781(3)
_cell_length_c                   15.9327(11)
_cell_measurement_reflns_used    1643
_cell_measurement_temperature    100.3(3)
_cell_measurement_theta_max      23.8180
_cell_measurement_theta_min      3.5070
_cell_volume                     7982.9(12)
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      100.3(3)
_diffrn_detector_area_resol_mean 10.4223
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1023
_diffrn_reflns_av_unetI/netI     0.1530
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            16417
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.0000
_diffrn_reflns_theta_max         25.0000
_diffrn_reflns_theta_min         3.1267
_exptl_absorpt_coefficient_mu    0.557
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.69864
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.425
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3400
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.382
_refine_diff_density_min         -0.531
_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.951
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     465
_refine_ls_number_reflns         7024
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.951
_refine_ls_R_factor_all          0.1311
_refine_ls_R_factor_gt           0.0721
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0683P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1637
_refine_ls_wR_factor_ref         0.1868
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3870
_reflns_number_total             7024
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt04639a2.cif
_cod_data_source_block           pfor_sq
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7045428--7045430.cif.
;
_cod_original_cell_volume        7982.8(11)
_cod_database_code               7045428
_shelx_shelxl_version_number     2016/6
_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+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Ru1 Ru 0.000000 0.02808(2) 0.250000 0.0245(2) Uani 1 2 d S T P
C1 C -0.0208(4) 0.1460(2) 0.3210(4) 0.0281(17) Uani 1 1 d . . .
N1 N 0.000000 0.1656(2) 0.250000 0.0240(19) Uani 1 2 d S T P
Ru2 Ru 0.000000 0.22402(2) 0.250000 0.0313(3) Uani 1 2 d S T P
C2 C -0.0315(4) 0.10520(19) 0.3166(4) 0.0251(16) Uani 1 1 d . . .
N2 N 0.000000 0.0865(2) 0.250000 0.028(2) Uani 1 2 d S T P
P1 P 0.81309(16) 0.09989(7) 0.95518(15) 0.0477(6) Uani 1 1 d . . .
P2 P 0.7005(2) 0.15677(9) 0.5726(2) 0.0864(10) Uani 1 1 d . . .
F8 F 0.7677(3) 0.06271(13) 0.9944(3) 0.0655(15) Uani 1 1 d . . .
C8 C -0.0694(5) 0.07809(19) 0.3735(4) 0.0258(17) Uani 1 1 d . . .
N8 N -0.1329(4) 0.01627(16) 0.2013(3) 0.0251(13) Uani 1 1 d . . .
F10 F 0.8575(3) 0.13776(17) 0.9165(4) 0.086(2) Uani 1 1 d . . .
C10 C -0.1624(5) 0.0604(2) 0.4805(5) 0.042(2) Uani 1 1 d . . .
H10 H -0.201519 0.067354 0.519125 0.050 Uiso 1 1 calc R U .
N3 N -0.0388(4) 0.21353(16) 0.3666(4) 0.0326(15) Uani 1 1 d . . .
C3 C -0.0306(5) 0.1747(2) 0.3898(5) 0.0324(18) Uani 1 1 d . . .
F9 F 0.9068(3) 0.07891(15) 0.9642(5) 0.094(2) Uani 1 1 d . . .
C9 C -0.1301(5) 0.0889(2) 0.4279(5) 0.0356(19) Uani 1 1 d . . .
H9 H -0.149554 0.115055 0.429601 0.043 Uiso 1 1 calc R U .
F12 F 0.8415(5) 0.11716(17) 1.0464(4) 0.102(2) Uani 1 1 d . . .
C12 C -0.0817(5) 0.0122(2) 0.4127(4) 0.0315(18) Uani 1 1 d . . .
H12 H -0.067722 -0.014334 0.405573 0.038 Uiso 1 1 calc R U .
C18 C -0.2887(8) 0.2591(4) 0.0951(8) 0.087(4) Uani 1 1 d . . .
H18 H -0.342533 0.266876 0.063767 0.104 Uiso 1 1 calc R U .
F5 F 0.8000(4) 0.14457(19) 0.5778(4) 0.095(2) Uani 1 1 d . . .
C5 C -0.0336(6) 0.1927(2) 0.5361(5) 0.053(2) Uani 1 1 d . . .
H5 H -0.031824 0.185686 0.592788 0.063 Uiso 1 1 calc R U .
N5 N 0.000000 0.2834(3) 0.250000 0.049(3) Uani 1 2 d S T P
F11 F 0.7208(4) 0.12207(18) 0.9515(6) 0.134(3) Uani 1 1 d . . .
C11 C -0.1350(5) 0.0220(2) 0.4737(5) 0.042(2) Uani 1 1 d . . .
H11 H -0.152435 0.002673 0.510003 0.050 Uiso 1 1 calc R U .
C23 C 0.000000 -0.1122(3) 0.250000 0.037(3) Uani 1 2 d S T P
C25 C -0.2427(5) -0.0364(3) 0.1754(5) 0.041(2) Uani 1 1 d . . .
H25 H -0.255966 -0.063257 0.172238 0.050 Uiso 1 1 calc R U .
C13 C -0.0738(7) 0.3020(3) 0.2133(5) 0.055(3) Uani 1 1 d . . .
C22 C -0.0770(5) -0.0911(2) 0.2230(4) 0.0332(19) Uani 1 1 d . . .
H22 H -0.129697 -0.104566 0.202976 0.040 Uiso 1 1 calc R U .
C21 C -0.0771(5) -0.0506(2) 0.2251(4) 0.0277(17) Uani 1 1 d . . .
C20 C -0.1850(6) 0.2100(3) 0.1536(5) 0.051(2) Uani 1 1 d . . .
H20 H -0.171950 0.183255 0.161085 0.062 Uiso 1 1 calc R U .
C17 C -0.2267(8) 0.2874(3) 0.1320(7) 0.072(3) Uani 1 1 d . . .
H17 H -0.239808 0.314234 0.126438 0.086 Uiso 1 1 calc R U .
C29 C 0.000000 -0.1564(4) 0.250000 0.049(3) Uani 1 2 d S T P
C14 C -0.0761(9) 0.3433(3) 0.2132(6) 0.090(4) Uani 1 1 d . . .
H14 H -0.126936 0.357014 0.189236 0.108 Uiso 1 1 calc R U .
F7 F 0.7876(4) 0.0821(3) 0.8651(4) 0.154(4) Uani 1 1 d . . .
N7 N 0.000000 -0.0310(2) 0.250000 0.0231(19) Uani 1 2 d S T P
C7 C -0.0487(6) 0.2408(2) 0.4249(5) 0.046(2) Uani 1 1 d . . .
H7 H -0.057896 0.267024 0.408116 0.055 Uiso 1 1 calc R U .
C24 C -0.1537(5) -0.0235(2) 0.2002(4) 0.0328(18) Uani 1 1 d . . .
F3 F 0.5963(5) 0.1673(2) 0.5715(7) 0.170(4) Uani 1 1 d . . .
C16 C -0.1462(7) 0.2751(3) 0.1765(5) 0.050(2) Uani 1 1 d . . .
C19 C -0.2680(7) 0.2209(4) 0.1064(6) 0.072(3) Uani 1 1 d . . .
H19 H -0.307902 0.201510 0.083431 0.086 Uiso 1 1 calc R U .
C15 C 0.000000 0.3632(4) 0.250000 0.086(6) Uani 1 2 d S T P
H15 H -0.000002 0.390707 0.249998 0.103 Uiso 1 2 calc R U P
C27 C -0.2866(5) 0.0309(3) 0.1577(5) 0.052(2) Uani 1 1 d . . .
H27 H -0.330785 0.049939 0.143791 0.063 Uiso 1 1 calc R U .
C28 C -0.1976(5) 0.0420(2) 0.1803(5) 0.044(2) Uani 1 1 d . . .
H28 H -0.183152 0.068829 0.180592 0.053 Uiso 1 1 calc R U .
C32 C 0.000000 -0.2393(5) 0.250000 0.080(5) Uani 1 2 d S T P
H32 H -0.000001 -0.266810 0.250001 0.096 Uiso 1 2 calc R U P
C26 C -0.3093(6) -0.0090(3) 0.1559(6) 0.056(3) Uani 1 1 d . . .
H26 H -0.368791 -0.016909 0.141623 0.068 Uiso 1 1 calc R U .
F6 F 0.7213(6) 0.1919(3) 0.6339(6) 0.174(4) Uani 1 1 d . . .
N6 N -0.1251(4) 0.23613(19) 0.1874(4) 0.0350(16) Uani 1 1 d . . .
C6 C -0.0456(6) 0.2312(2) 0.5113(5) 0.051(3) Uani 1 1 d . . .
H6 H -0.051688 0.250908 0.550956 0.061 Uiso 1 1 calc R U .
C30 C -0.0825(8) -0.1774(3) 0.2499(6) 0.073(3) Uani 1 1 d . . .
H30 H -0.136908 -0.164277 0.251566 0.087 Uiso 1 1 calc R U .
F1 F 0.7065(7) 0.1879(3) 0.4997(6) 0.173(4) Uani 1 1 d . . .
F2 F 0.6766(6) 0.1229(3) 0.5051(10) 0.240(7) Uani 1 1 d . . .
C31 C -0.0780(8) -0.2196(3) 0.2471(7) 0.078(3) Uani 1 1 d . . .
H31 H -0.131440 -0.233940 0.243171 0.094 Uiso 1 1 calc R U .
F4 F 0.6902(8) 0.1268(3) 0.6431(10) 0.265(8) Uani 1 1 d . . .
N4 N -0.0488(4) 0.03912(16) 0.3629(3) 0.0262(14) Uani 1 1 d . . .
C4 C -0.0243(5) 0.1643(2) 0.4757(5) 0.041(2) Uani 1 1 d . . .
H4 H -0.013702 0.138125 0.491932 0.050 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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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
N2 Ru1 N7 180.0 . .
N2 Ru1 N4 79.56(15) . .
N7 Ru1 N4 100.44(15) . .
N2 Ru1 N4 79.56(15) . 2
N7 Ru1 N4 100.44(15) . 2
N4 Ru1 N4 159.1(3) . 2
N2 Ru1 N8 101.06(15) . .
N7 Ru1 N8 78.94(15) . .
N4 Ru1 N8 86.3(2) . .
N4 Ru1 N8 97.7(2) 2 .
N2 Ru1 N8 101.06(15) . 2
N7 Ru1 N8 78.94(15) . 2
N4 Ru1 N8 97.7(2) . 2
N4 Ru1 N8 86.3(2) 2 2
N8 Ru1 N8 157.9(3) . 2
N1 C1 C2 118.1(6) . .
N1 C1 C3 110.2(6) . .
C2 C1 C3 131.6(6) . .
C1 N1 C1 122.6(8) . 2
C1 N1 Ru2 118.7(4) . .
C1 N1 Ru2 118.7(4) 2 .
N1 Ru2 N5 180.0 . .
N1 Ru2 N3 80.02(16) . .
N5 Ru2 N3 99.98(16) . .
N1 Ru2 N3 80.02(16) . 2
N5 Ru2 N3 99.98(16) . 2
N3 Ru2 N3 160.0(3) . 2
N1 Ru2 N6 101.52(18) . .
N5 Ru2 N6 78.48(18) . .
N3 Ru2 N6 97.5(2) . .
N3 Ru2 N6 86.4(2) 2 .
N1 Ru2 N6 101.52(18) . 2
N5 Ru2 N6 78.48(18) . 2
N3 Ru2 N6 86.4(2) . 2
N3 Ru2 N6 97.5(2) 2 2
N6 Ru2 N6 157.0(4) . 2
N2 C2 C1 116.7(6) . .
N2 C2 C8 113.0(6) . .
C1 C2 C8 130.2(6) . .
C2 N2 C2 124.9(7) 2 .
C2 N2 Ru1 117.5(4) 2 .
C2 N2 Ru1 117.5(4) . .
F7 P1 F9 91.3(4) . .
F7 P1 F11 92.1(5) . .
F9 P1 F11 176.6(5) . .
F7 P1 F12 178.3(5) . .
F9 P1 F12 87.0(4) . .
F11 P1 F12 89.5(4) . .
F7 P1 F8 89.4(4) . .
F9 P1 F8 91.6(3) . .
F11 P1 F8 88.6(3) . .
F12 P1 F8 90.5(3) . .
F7 P1 F10 91.1(4) . .
F9 P1 F10 89.3(3) . .
F11 P1 F10 90.5(3) . .
F12 P1 F10 89.0(3) . .
F8 P1 F10 179.0(3) . .
F4 P2 F5 88.1(5) . .
F4 P2 F6 94.3(8) . .
F5 P2 F6 93.1(4) . .
F4 P2 F1 177.6(6) . .
F5 P2 F1 94.3(4) . .
F6 P2 F1 85.8(5) . .
F4 P2 F2 89.1(7) . .
F5 P2 F2 88.8(4) . .
F6 P2 F2 176.1(7) . .
F1 P2 F2 90.6(7) . .
F4 P2 F3 88.2(5) . .
F5 P2 F3 176.3(5) . .
F6 P2 F3 87.4(4) . .
F1 P2 F3 89.4(5) . .
F2 P2 F3 90.9(5) . .
N4 C8 C9 120.6(6) . .
N4 C8 C2 114.8(5) . .
C9 C8 C2 124.2(6) . .
C28 N8 C24 119.0(6) . .
C28 N8 Ru1 127.4(5) . .
C24 N8 Ru1 113.3(5) . .
C11 C10 C9 118.4(6) . .
C7 N3 C3 119.4(6) . .
C7 N3 Ru2 125.7(5) . .
C3 N3 Ru2 112.8(4) . .
N3 C3 C4 119.7(6) . .
N3 C3 C1 116.2(6) . .
C4 C3 C1 123.8(6) . .
C8 C9 C10 119.7(6) . .
N4 C12 C11 123.0(6) . .
C19 C18 C17 118.0(11) . .
C6 C5 C4 118.7(7) . .
C13 N5 C13 124.0(11) 2 .
C13 N5 Ru2 118.0(6) 2 .
C13 N5 Ru2 118.0(6) . .
C10 C11 C12 119.4(6) . .
C22 C23 C22 117.7(10) 2 .
C22 C23 C29 121.1(5) 2 .
C22 C23 C29 121.1(5) . .
C26 C25 C24 119.4(8) . .
N5 C13 C14 119.3(11) . .
N5 C13 C16 114.1(7) . .
C14 C13 C16 126.6(10) . .
C21 C22 C23 120.8(8) . .
N7 C21 C22 119.8(7) . .
N7 C21 C24 112.3(6) . .
C22 C21 C24 127.9(7) . .
N6 C20 C19 123.1(9) . .
C16 C17 C18 119.8(10) . .
C30 C29 C30 120.0(12) 2 .
C30 C29 C23 120.0(6) 2 .
C30 C29 C23 120.0(6) . .
C15 C14 C13 117.7(12) . .
C21 N7 C21 121.0(8) . 2
C21 N7 Ru1 119.5(4) . .
C21 N7 Ru1 119.5(4) 2 .
N3 C7 C6 122.0(7) . .
N8 C24 C25 120.5(7) . .
N8 C24 C21 115.6(6) . .
C25 C24 C21 123.8(7) . .
N6 C16 C17 121.9(10) . .
N6 C16 C13 113.5(8) . .
C17 C16 C13 124.5(9) . .
C18 C19 C20 119.7(11) . .
C14 C15 C14 122.1(14) 2 .
C28 C27 C26 119.6(8) . .
N8 C28 C27 122.5(8) . .
C31 C32 C31 120.4(15) 2 .
C25 C26 C27 118.9(8) . .
C20 N6 C16 117.4(8) . .
C20 N6 Ru2 126.6(6) . .
C16 N6 Ru2 116.0(6) . .
C5 C6 C7 119.3(7) . .
C29 C30 C31 117.0(10) . .
C32 C31 C30 122.6(12) . .
C12 N4 C8 118.4(5) . .
C12 N4 Ru1 126.2(4) . .
C8 N4 Ru1 113.1(4) . .
C5 C4 C3 120.5(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 N2 1.972(7) .
Ru1 N7 1.994(7) .
Ru1 N4 2.058(5) .
Ru1 N4 2.058(5) 2
Ru1 N8 2.079(6) .
Ru1 N8 2.079(6) 2
C1 N1 1.380(7) .
C1 C2 1.389(9) .
C1 C3 1.482(9) .
N1 Ru2 1.972(7) .
Ru2 N5 2.005(9) .
Ru2 N3 2.045(5) .
Ru2 N3 2.045(5) 2
Ru2 N6 2.048(7) .
Ru2 N6 2.048(7) 2
C2 N2 1.369(7) .
C2 C8 1.453(8) .
P1 F7 1.559(7) .
P1 F9 1.560(5) .
P1 F11 1.564(6) .
P1 F12 1.575(6) .
P1 F8 1.592(5) .
P1 F10 1.600(5) .
P2 F4 1.534(9) .
P2 F5 1.536(6) .
P2 F6 1.545(8) .
P2 F1 1.578(9) .
P2 F2 1.581(9) .
P2 F3 1.596(7) .
C8 N4 1.367(8) .
C8 C9 1.381(8) .
N8 C28 1.313(9) .
N8 C24 1.379(8) .
C10 C11 1.369(9) .
C10 C9 1.404(9) .
N3 C7 1.330(9) .
N3 C3 1.365(8) .
C3 C4 1.405(10) .
C12 N4 1.340(8) .
C12 C11 1.372(8) .
C18 C19 1.335(14) .
C18 C17 1.407(15) .
C5 C6 1.367(10) .
C5 C4 1.377(10) .
N5 C13 1.338(10) 2
N5 C13 1.338(10) .
C23 C22 1.376(9) 2
C23 C22 1.376(9) .
C23 C29 1.493(15) .
C25 C26 1.366(11) .
C25 C24 1.408(10) .
C13 C14 1.397(12) .
C13 C16 1.477(13) .
C22 C21 1.370(10) .
C21 N7 1.346(7) .
C21 C24 1.480(10) .
C20 N6 1.322(10) .
C20 C19 1.417(12) .
C17 C16 1.382(13) .
C29 C30 1.423(11) 2
C29 C30 1.423(11) .
C14 C15 1.387(12) .
C7 C6 1.410(10) .
C16 N6 1.359(10) .
C27 C28 1.387(11) .
C27 C26 1.387(12) .
C32 C31 1.339(11) 2
C32 C31 1.339(11) .
C30 C31 1.426(12) .
