#------------------------------------------------------------------------------
#$Date: 2019-10-11 03:39:08 +0300 (Fri, 11 Oct 2019) $
#$Revision: 219264 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/45/7234529.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_7234529
loop_
_publ_author_name
'Nayak, Biswajit'
'Halder, Senjuti'
'De, Sagnik'
'Das, Gopal'
_publ_section_title
;
 Binding Consistency of Anion by Effect of Aromatic Meta-Substitution of
 Bis-urea Receptors: Entrapment of Hexafluorosilicate Clusters
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/C9CE01485C
_journal_year                    2019
_chemical_formula_moiety         '2(C22 H16 N6 O2), 2(C16 H36 N), F6 Si'
_chemical_formula_sum            'C76 H104 F6 N14 O4 Si'
_chemical_formula_weight         1419.82
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-09-13 deposited with the CCDC.    2019-10-10 downloaded from the CCDC.
;
_cell_angle_alpha                96.1210(10)
_cell_angle_beta                 96.470(2)
_cell_angle_gamma                114.2000(10)
_cell_formula_units_Z            1
_cell_length_a                   11.3980(3)
_cell_length_b                   11.8157(3)
_cell_length_c                   16.3102(4)
_cell_measurement_reflns_used    6774
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      18.1650
_cell_measurement_theta_min      3.0760
_cell_volume                     1962.28(9)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'ccd area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0783
_diffrn_reflns_av_unetI/netI     0.0548
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            29413
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.049
_diffrn_reflns_theta_max         25.049
_diffrn_reflns_theta_min         1.275
_exptl_absorpt_coefficient_mu    0.100
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.202
_exptl_crystal_description       needle
_exptl_crystal_F_000             758.0
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.17
_exptl_transmission_factor_max   0.983
_exptl_transmission_factor_min   0.972
_refine_diff_density_max         0.203
_refine_diff_density_min         -0.247
_refine_diff_density_rms         0.043
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.876
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     468
_refine_ls_number_reflns         6836
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.876
_refine_ls_R_factor_all          0.0724
_refine_ls_R_factor_gt           0.0478
_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)+(0.1000P)²+0.0311P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1333
_refine_ls_wR_factor_ref         0.1476
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4399
_reflns_number_total             6836
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9ce01485c2.cif
_cod_data_source_block           L3-SiF6
_cod_database_code               7234529
_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
Si1 Si 0.5000 0.5000 0.5000 0.0488(2) Uani 1 2 d DS . P . .
F2 F 0.43977(14) 0.45871(13) 0.39783(7) 0.0890(4) Uani 1 1 d . . . . .
F1 F 0.6254(2) 0.4714(3) 0.47784(14) 0.0783(7) Uani 0.905(7) 1 d . . P A 1
F3 F 0.5797(3) 0.64998(12) 0.48713(11) 0.0782(7) Uani 0.905(7) 1 d . . P A 1
F4 F 0.523(3) 0.6453(9) 0.4863(13) 0.0782(7) Uani 0.095(7) 1 d D . P A 2
F6 F 0.6576(7) 0.536(2) 0.4991(13) 0.0783(7) Uani 0.095(7) 1 d D . P A 2
C9 C 0.53103(19) 0.92566(16) 0.55102(11) 0.0529(5) Uani 1 1 d . . . . .
C8 C 0.5829(2) 0.86372(18) 0.68376(12) 0.0576(5) Uani 1 1 d . . . . .
C10 C 0.5808(2) 0.94638(19) 0.47806(11) 0.0607(5) Uani 1 1 d . . . . .
H10 H 0.6354 0.9102 0.4626 0.073 Uiso 1 1 calc R U . . .
C11 C 0.4499(2) 0.97937(19) 0.57225(11) 0.0608(5) Uani 1 1 d . . . . .
H11 H 0.4152 0.9656 0.6211 0.073 Uiso 1 1 calc R U . . .
C6 C 0.60771(19) 0.75312(18) 0.80021(11) 0.0566(5) Uani 1 1 d . . . . .
C5 C 0.5904(2) 0.6358(2) 0.81723(13) 0.0654(6) Uani 1 1 d . . . . .
H5 H 0.5728 0.5709 0.7734 0.078 Uiso 1 1 calc R U . . .
C7 C 0.6297(3) 0.8467(2) 0.86574(13) 0.0810(7) Uani 1 1 d . . . . .
H7 H 0.6403 0.9260 0.8556 0.097 Uiso 1 1 calc R U . . .
C4 C 0.5987(3) 0.6139(2) 0.89834(14) 0.0802(7) Uani 1 1 d . . . . .
H4 H 0.5882 0.5347 0.9087 0.096 Uiso 1 1 calc R U . . .
C2 C 0.6360(3) 0.8226(2) 0.94682(13) 0.0859(7) Uani 1 1 d . . . . .
C3 C 0.6221(3) 0.7062(2) 0.96337(14) 0.0832(7) Uani 1 1 d . . . . .
H3 H 0.6286 0.6913 1.0182 0.100 Uiso 1 1 calc R U . . .
C1 C 0.6533(5) 0.9191(3) 1.01374(18) 0.1439(16) Uani 1 1 d . . . . .
N1 N 0.6662(6) 0.9956(3) 1.06702(17) 0.225(3) Uani 1 1 d . . . . .
N3 N 0.55912(17) 0.84407(14) 0.59889(9) 0.0605(4) Uani 1 1 d . . . . .
H3N H 0.5613 0.7780 0.5726 0.073 Uiso 1 1 calc R U . . .
N2 N 0.59882(17) 0.76773(15) 0.71589(9) 0.0613(4) Uani 1 1 d . . . . .
H2N H 0.6039 0.7107 0.6810 0.074 Uiso 1 1 calc R U . . .
O1 O 0.58798(17) 0.95669(13) 0.72660(8) 0.0775(5) Uani 1 1 d . . . . .
C17 C 0.73864(18) 0.47611(19) 0.27004(12) 0.0573(5) Uani 1 1 d . . . . .
C18 C 0.75698(19) 0.5053(2) 0.19122(12) 0.0622(5) Uani 1 1 d . . . . .
H18 H 0.7768 0.5866 0.1812 0.075 Uiso 1 1 calc R U . . .
C13 C 0.7455(2) 0.4125(2) 0.12752(12) 0.0686(6) Uani 1 1 d . . . . .
C12 C 0.7663(3) 0.4446(3) 0.04642(15) 0.0893(8) Uani 1 1 d . . . . .
C16 C 0.7092(2) 0.3548(2) 0.28302(14) 0.0713(6) Uani 1 1 d . . . . .
H16 H 0.6975 0.3343 0.3359 0.086 Uiso 1 1 calc R U . . .
C14 C 0.7150(2) 0.2911(2) 0.14058(16) 0.0821(7) Uani 1 1 d . . . . .
H14 H 0.7070 0.2291 0.0972 0.099 Uiso 1 1 calc R U . . .
C15 C 0.6969(3) 0.2641(2) 0.21840(18) 0.0875(7) Uani 1 1 d . . . . .
H15 H 0.6759 0.1824 0.2281 0.105 Uiso 1 1 calc R U . . .
N4 N 0.7826(3) 0.4703(3) -0.01849(14) 0.1286(10) Uani 1 1 d . . . . .
C19 C 0.83130(19) 0.6886(2) 0.34974(11) 0.0560(5) Uani 1 1 d . . . . .
O2 O 0.90887(14) 0.73299(13) 0.30346(8) 0.0679(4) Uani 1 1 d . . . . .
C21 C 0.91367(18) 0.87985(18) 0.45752(11) 0.0538(5) Uani 1 1 d . . . . .
C20 C 0.90678(19) 0.92129(19) 0.53830(11) 0.0608(5) Uani 1 1 d . . . . .
H20 H 0.8430 0.8682 0.5648 0.073 Uiso 1 1 calc R U . . .
C22 C 1.0083(2) 0.9609(2) 0.41917(12) 0.0634(6) Uani 1 1 d . . . . .
H22 H 1.0147 0.9358 0.3645 0.076 Uiso 1 1 calc R U . . .
N6 N 0.82362(16) 0.75688(15) 0.42013(9) 0.0610(4) Uani 1 1 d . . . . .
H6N H 0.7573 0.7214 0.4440 0.073 Uiso 1 1 calc R U . . .
N5 N 0.74500(16) 0.56510(16) 0.33675(9) 0.0644(5) Uani 1 1 d . . . . .
H5N H 0.6915 0.5403 0.3712 0.077 Uiso 1 1 calc R U . . .
C31 C 0.2481(2) 0.6590(2) 0.36558(12) 0.0670(6) Uani 1 1 d . . . . .
H31A H 0.2727 0.5943 0.3823 0.080 Uiso 1 1 calc R U . . .
H31B H 0.3230 0.7395 0.3845 0.080 Uiso 1 1 calc R U . . .
C27 C 0.3381(2) 0.6433(2) 0.23681(13) 0.0659(6) Uani 1 1 d . . . . .
H27A H 0.3605 0.5791 0.2570 0.079 Uiso 1 1 calc R U . . .
H27B H 0.3157 0.6213 0.1763 0.079 Uiso 1 1 calc R U . . .
C28 C 0.4569(2) 0.7655(2) 0.25820(14) 0.0720(6) Uani 1 1 d . . . . .
H28A H 0.4807 0.7891 0.3186 0.086 Uiso 1 1 calc R U . . .
H28B H 0.4373 0.8303 0.2365 0.086 Uiso 1 1 calc R U . . .
C35 C 0.1081(2) 0.5090(2) 0.23601(13) 0.0706(6) Uani 1 1 d . . . . .
H35A H 0.0277 0.5088 0.2503 0.085 Uiso 1 1 calc R U . . .
H35B H 0.0986 0.4971 0.1755 0.085 Uiso 1 1 calc R U . . .
C23 C 0.1775(2) 0.7376(2) 0.24485(13) 0.0713(6) Uani 1 1 d . . . . .
H23A H 0.1000 0.7288 0.2680 0.086 Uiso 1 1 calc R U . . .
H23B H 0.2464 0.8191 0.2706 0.086 Uiso 1 1 calc R U . . .
C29 C 0.5696(2) 0.7584(2) 0.22298(17) 0.0862(7) Uani 1 1 d . . . . .
H29A H 0.5462 0.7380 0.1625 0.103 Uiso 1 1 calc R U . . .
H29B H 0.5854 0.6903 0.2425 0.103 Uiso 1 1 calc R U . . .
C32 C 0.1376(2) 0.6582(3) 0.40988(13) 0.0826(7) Uani 1 1 d . . . . .
H32A H 0.1159 0.7260 0.3964 0.099 Uiso 1 1 calc R U . . .
H32B H 0.0609 0.5794 0.3898 0.099 Uiso 1 1 calc R U . . .
C33 C 0.1730(3) 0.6732(3) 0.50184(14) 0.0885(7) Uani 1 1 d . . . . .
H33A H 0.2602 0.7403 0.5197 0.106 Uiso 1 1 calc R U . . .
H33B H 0.1753 0.5962 0.5156 0.106 Uiso 1 1 calc R U . . .
C30 C 0.6933(2) 0.8770(2) 0.24594(17) 0.0933(8) Uani 1 1 d . . . . .
H30A H 0.6789 0.9450 0.2267 0.140 Uiso 1 1 calc R U . . .
H30B H 0.7605 0.8661 0.2202 0.140 Uiso 1 1 calc R U . . .
H30C H 0.7197 0.8959 0.3057 0.140 Uiso 1 1 calc R U . . .
C34 C 0.0818(3) 0.7024(3) 0.54976(15) 0.1033(9) Uani 1 1 d . . . . .
H34A H 0.0933 0.7869 0.5467 0.155 Uiso 1 1 calc R U . . .
H34B H 0.1001 0.6943 0.6072 0.155 Uiso 1 1 calc R U . . .
H34C H -0.0066 0.6446 0.5262 0.155 Uiso 1 1 calc R U . . .
C24 C 0.1493(3) 0.7381(3) 0.15236(15) 0.0950(8) Uani 1 1 d . . . . .
H24A H 0.2300 0.7649 0.1300 0.114 Uiso 1 1 calc R U . . .
H24B H 0.0913 0.6537 0.1237 0.114 Uiso 1 1 calc R U . . .
C36 C 0.1221(2) 0.3973(2) 0.26471(15) 0.0808(7) Uani 1 1 d . . . . .
H36A H 0.2116 0.4088 0.2660 0.097 Uiso 1 1 calc R U . . .
H36B H 0.1038 0.3933 0.3213 0.097 Uiso 1 1 calc R U . . .
C25 C 0.0868(3) 0.8261(3) 0.13735(19) 0.1169(10) Uani 1 1 d . . . . .
H25A H 0.0088 0.8010 0.1625 0.140 Uiso 1 1 calc R U . . .
H25B H 0.1467 0.9105 0.1650 0.140 Uiso 1 1 calc R U . . .
C37 C 0.0339(3) 0.2772(3) 0.2102(2) 0.1086(9) Uani 1 1 d . . . . .
H37A H -0.0545 0.2697 0.2069 0.130 Uiso 1 1 calc R U . . .
H37B H 0.0552 0.2818 0.1543 0.130 Uiso 1 1 calc R U . . .
C26 C 0.0511(5) 0.8284(5) 0.0470(3) 0.1837(19) Uani 1 1 d . . . . .
H26A H 0.1288 0.8600 0.0226 0.276 Uiso 1 1 calc R U . . .
H26B H 0.0073 0.8821 0.0415 0.276 Uiso 1 1 calc R U . . .
H26C H -0.0057 0.7447 0.0187 0.276 Uiso 1 1 calc R U . . .
C38 C 0.0352(3) 0.1614(3) 0.2343(3) 0.1349(12) Uani 1 1 d . . . . .
H38A H 0.1169 0.1594 0.2275 0.202 Uiso 1 1 calc R U . . .
H38B H -0.0350 0.0897 0.1994 0.202 Uiso 1 1 calc R U . . .
H38C H 0.0246 0.1596 0.2918 0.202 Uiso 1 1 calc R U . . .
N7 N 0.21730(16) 0.63745(16) 0.27059(10) 0.0605(4) Uani 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'
O O 0.0106 0.0060 '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'
Si Si 0.0817 0.0704 '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
F1 Si1 F1 180.0 2_666 .
F1 Si1 F2 92.85(10) 2_666 .
F1 Si1 F2 87.15(10) . .
F1 Si1 F2 87.14(10) 2_666 2_666
F1 Si1 F2 92.86(10) . 2_666
F2 Si1 F2 180.0 . 2_666
F2 Si1 F4 85.6(8) . .
F2 Si1 F4 94.4(8) 2_666 .
F2 Si1 F4 94.4(8) . 2_666
F2 Si1 F4 85.6(8) 2_666 2_666
F4 Si1 F4 180.0 . 2_666
F2 Si1 F6 100.9(7) . .
F2 Si1 F6 79.1(7) 2_666 .
F4 Si1 F6 90.9(9) . .
F4 Si1 F6 89.1(9) 2_666 .
F2 Si1 F6 79.1(7) . 2_666
F2 Si1 F6 100.9(7) 2_666 2_666
F4 Si1 F6 89.1(9) . 2_666
F4 Si1 F6 90.9(9) 2_666 2_666
F6 Si1 F6 180.0 . 2_666
F1 Si1 F3 90.10(7) 2_666 2_666
F1 Si1 F3 89.90(7) . 2_666
F2 Si1 F3 90.00(9) . 2_666
F2 Si1 F3 90.00(9) 2_666 2_666
F1 Si1 F3 89.90(7) 2_666 .
F1 Si1 F3 90.10(7) . .
F2 Si1 F3 90.00(9) . .
F2 Si1 F3 90.00(9) 2_666 .
F3 Si1 F3 180.0 2_666 .
C11 C9 C10 118.80(17) . .
C11 C9 N3 122.21(17) . .
C10 C9 N3 118.88(17) . .
O1 C8 N3 123.18(18) . .
O1 C8 N2 123.62(17) . .
N3 C8 N2 113.19(16) . .
C9 C10 C11 120.36(18) . 2_676
C9 C11 C10 120.84(18) . 2_676
C7 C6 C5 118.74(18) . .
C7 C6 N2 124.19(18) . .
C5 C6 N2 117.05(17) . .
C4 C5 C6 120.7(2) . .
C6 C7 C2 119.8(2) . .
C3 C4 C5 120.8(2) . .
C3 C2 C7 121.0(2) . .
C3 C2 C1 119.9(2) . .
C7 C2 C1 119.0(2) . .
C4 C3 C2 118.8(2) . .
N1 C1 C2 179.6(6) . .
C8 N3 C9 123.91(15) . .
C8 N2 C6 126.39(16) . .
C16 C17 C18 119.01(19) . .
C16 C17 N5 118.79(18) . .
C18 C17 N5 122.2(2) . .
C13 C18 C17 119.4(2) . .
C14 C13 C18 121.4(2) . .
C14 C13 C12 119.9(2) . .
C18 C13 C12 118.6(2) . .
N4 C12 C13 179.9(5) . .
C15 C16 C17 120.4(2) . .
C15 C14 C13 118.4(2) . .
C14 C15 C16 121.4(2) . .
O2 C19 N5 123.03(18) . .
O2 C19 N6 123.48(19) . .
N5 C19 N6 113.48(17) . .
C20 C21 C22 118.02(17) . .
C20 C21 N6 117.36(17) . .
C22 C21 N6 124.61(16) . .
C22 C20 C21 121.85(18) 2_776 .
C20 C22 C21 120.13(17) 2_776 .
C19 N6 C21 126.34(16) . .
C19 N5 C17 123.46(17) . .
C32 C31 N7 115.18(17) . .
C28 C27 N7 117.04(16) . .
C27 C28 C29 111.93(17) . .
C36 C35 N7 117.16(17) . .
C24 C23 N7 117.16(18) . .
C28 C29 C30 114.2(2) . .
C33 C32 C31 111.8(2) . .
C32 C33 C34 114.2(2) . .
C25 C24 C23 110.1(2) . .
C37 C36 C35 112.8(2) . .
C26 C25 C24 113.5(3) . .
C38 C37 C36 117.4(3) . .
C35 N7 C23 109.38(16) . .
C35 N7 C27 107.51(15) . .
C23 N7 C27 111.96(16) . .
C35 N7 C31 111.55(16) . .
C23 N7 C31 108.25(15) . .
C27 N7 C31 108.22(15) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 F1 1.6655(13) 2_666
Si1 F1 1.6655(13) .
Si1 F2 1.6675(11) .
Si1 F2 1.6675(11) 2_666
Si1 F4 1.6698(11) .
Si1 F4 1.6698(10) 2_666
Si1 F6 1.6698(11) .
Si1 F6 1.6699(10) 2_666
Si1 F3 1.6770(13) 2_666
Si1 F3 1.6771(13) .
C9 C11 1.373(3) .
C9 C10 1.378(3) .
C9 N3 1.414(2) .
C8 O1 1.214(2) .
C8 N3 1.356(2) .
C8 N2 1.367(2) .
C10 C11 1.381(3) 2_676
C11 C10 1.381(3) 2_676
C6 C7 1.374(3) .
C6 C5 1.381(3) .
C6 N2 1.402(2) .
C5 C4 1.375(3) .
C7 C2 1.382(3) .
C4 C3 1.355(3) .
C2 C3 1.379(3) .
C2 C1 1.425(4) .
C1 N1 1.135(4) .
C17 C16 1.377(3) .
C17 C18 1.382(3) .
C17 N5 1.404(2) .
C18 C13 1.381(3) .
C13 C14 1.377(3) .
C13 C12 1.433(3) .
C12 N4 1.146(3) .
C16 C15 1.373(3) .
C14 C15 1.359(3) .
C19 O2 1.217(2) .
C19 N5 1.361(2) .
C19 N6 1.364(2) .
C21 C20 1.378(2) .
C21 C22 1.380(3) .
C21 N6 1.409(2) .
C20 C22 1.377(3) 2_776
C22 C20 1.377(3) 2_776
C31 C32 1.518(3) .
C31 N7 1.519(2) .
C27 C28 1.491(3) .
C27 N7 1.519(2) .
C28 C29 1.494(3) .
C35 C36 1.508(3) .
C35 N7 1.510(3) .
C23 C24 1.508(3) .
C23 N7 1.512(3) .
C29 C30 1.497(3) .
C32 C33 1.480(3) .
C33 C34 1.493(3) .
C24 C25 1.507(4) .
C36 C37 1.475(3) .
C25 C26 1.490(4) .
C37 C38 1.468(4) .
