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#$Date: 2021-06-05 21:17:15 +0300 (Sat, 05 Jun 2021) $
#$Revision: 265980 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/23/7242362.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_7242362
loop_
_publ_author_name
'Chunikhin, Sergey S.'
'Ershov, Oleg V.'
'Yatsenko, Alexandr V.'
'Tafeenko, Viktor A.'
'Dmitrieva, Natalia E.'
'Ievlev, Mikhail Yu.'
_publ_section_title
;
 Alkali metal salts of a tetracyanopyridine (TCPy) derivative: structure
 characterization and luminescence properties
;
_journal_issue                   15
_journal_name_full               CrystEngComm
_journal_page_first              2816
_journal_page_last               2824
_journal_paper_doi               10.1039/D1CE00028D
_journal_volume                  23
_journal_year                    2021
_chemical_formula_moiety         'C17 H8 N5 Rb'
_chemical_formula_sum            'C17 H8 N5 Rb'
_chemical_formula_weight         367.75
_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'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-05-01 deposited with the CCDC.	2021-03-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 127.702(5)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   22.0886(19)
_cell_length_b                   8.7859(4)
_cell_length_c                   20.3080(10)
_cell_measurement_reflns_used    3426
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      65.3
_cell_measurement_theta_min      4.6
_cell_volume                     3118.2(4)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      295
_diffrn_detector                 Pilatus100K
_diffrn_detector_area_resol_mean 5.81
_diffrn_detector_type            STOE
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'stadivari pilatus100k'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_collimation    'focusing mirrors'
_diffrn_radiation_monochromator  none
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54186
_diffrn_reflns_av_R_equivalents  0.0513
_diffrn_reflns_av_unetI/netI     0.0449
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            10946
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        67.686
_diffrn_reflns_theta_max         72.468
_diffrn_reflns_theta_min         4.673
_diffrn_source                   'Cu GeniX 3D'
_diffrn_source_current           0.600
_diffrn_source_power             0.030
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    4.412
_exptl_absorpt_correction_T_max  0.727
_exptl_absorpt_correction_T_min  0.528
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.567
_exptl_crystal_description       prism
_exptl_crystal_F_000             1456
_exptl_crystal_size_max          .21
_exptl_crystal_size_mid          .17
_exptl_crystal_size_min          .15
_refine_diff_density_max         0.207
_refine_diff_density_min         -0.364
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.832
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     209
_refine_ls_number_reflns         3053
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.832
_refine_ls_R_factor_all          0.0574
_refine_ls_R_factor_gt           0.0313
_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)+(0.0410P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0679
_refine_ls_wR_factor_ref         0.0746
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1915
_reflns_number_total             3053
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ce00028d2.cif
_cod_data_source_block           ss318_rb
_cod_depositor_comments
'Adding full bibliography for 7242361--7242365.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7242362
_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+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
_atom_site_disorder_assembly
_atom_site_disorder_group
Rb1 Rb 0.45257(2) 0.24169(3) 0.46111(2) 0.06153(12) Uani 1 1 d . . . . .
N1 N 0.27679(13) 0.2192(2) 0.39038(13) 0.0442(5) Uani 1 1 d . . . . .
N2 N 0.39332(14) -0.0837(3) 0.43006(17) 0.0650(8) Uani 1 1 d . . . . .
N3 N 0.16318(16) -0.2269(3) 0.22301(17) 0.0681(8) Uani 1 1 d . . . . .
N4 N 0.06963(16) 0.0703(3) 0.11160(16) 0.0677(8) Uani 1 1 d . . . . .
N5 N 0.00390(19) 0.4494(4) 0.1480(2) 0.0986(11) Uani 1 1 d . . . . .
C2 C 0.22741(15) 0.1345(3) 0.32150(16) 0.0419(6) Uani 1 1 d . . . . .
C3 C 0.15668(15) 0.1981(3) 0.25539(17) 0.0450(6) Uani 1 1 d . . . . .
C4 C 0.13530(16) 0.3391(3) 0.26806(18) 0.0487(7) Uani 1 1 d . . . . .
C5 C 0.18268(16) 0.4192(3) 0.34160(18) 0.0485(7) Uani 1 1 d . . . . .
C6 C 0.25597(16) 0.3556(3) 0.39989(17) 0.0441(6) Uani 1 1 d . . . . .
C7 C 0.33003(17) -0.0531(3) 0.38183(18) 0.0510(7) Uani 1 1 d . . . . .
C8 C 0.25275(15) -0.0155(3) 0.32092(16) 0.0465(7) Uani 1 1 d . . . . .
C9 C 0.20349(16) -0.1307(3) 0.26625(18) 0.0501(7) Uani 1 1 d . . . . .
C10 C 0.10836(16) 0.1261(3) 0.17604(19) 0.0516(7) Uani 1 1 d . . . . .
C11 C 0.06151(19) 0.4009(4) 0.2009(2) 0.0641(9) Uani 1 1 d . . . . .
C12 C 0.15504(19) 0.5594(3) 0.3587(2) 0.0636(8) Uani 1 1 d . . . . .
H12A H 0.1624 0.6470 0.3360 0.095 Uiso 1 1 calc R U . . .
H12B H 0.1835 0.5720 0.4177 0.095 Uiso 1 1 calc R U . . .
H12C H 0.1017 0.5487 0.3333 0.095 Uiso 1 1 calc R U . . .
C13 C 0.31660(16) 0.4349(3) 0.47845(17) 0.0473(7) Uani 1 1 d . . . . .
C14 C 0.33408(19) 0.5872(3) 0.4791(2) 0.0571(8) Uani 1 1 d . . . . .
H14 H 0.3070 0.6418 0.4295 0.069 Uiso 1 1 calc R U . . .
C15 C 0.3911(2) 0.6583(4) 0.5524(2) 0.0684(9) Uani 1 1 d . . . . .
H15 H 0.4026 0.7599 0.5520 0.082 Uiso 1 1 calc R U . . .
C16 C 0.4304(2) 0.5799(5) 0.6252(2) 0.0802(11) Uani 1 1 d . . . . .
H16 H 0.4683 0.6284 0.6748 0.096 Uiso 1 1 calc R U . . .
C17 C 0.4142(2) 0.4278(5) 0.6259(2) 0.0808(11) Uani 1 1 d . . . . .
H17 H 0.4415 0.3742 0.6758 0.097 Uiso 1 1 calc R U . . .
C18 C 0.35766(19) 0.3560(4) 0.55252(19) 0.0633(9) Uani 1 1 d . . . . .
H18 H 0.3472 0.2537 0.5531 0.076 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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rb Rb -0.4688 1.6079 '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
N3 Rb1 N4 140.01(7) 4 8_556 ?
N3 Rb1 N2 132.49(8) 4 5_656 ?
N4 Rb1 N2 68.12(7) 8_556 5_656 ?
N3 Rb1 N2 84.09(7) 4 . ?
N4 Rb1 N2 135.87(7) 8_556 . ?
N2 Rb1 N2 82.53(7) 5_656 . ?
N3 Rb1 N4 63.78(7) 4 4 ?
N4 Rb1 N4 76.32(8) 8_556 4 ?
N2 Rb1 N4 123.10(7) 5_656 4 ?
N2 Rb1 N4 147.31(7) . 4 ?
N3 Rb1 N1 64.59(7) 4 . ?
N4 Rb1 N1 122.60(7) 8_556 . ?
N2 Rb1 N1 143.84(6) 5_656 . ?
N2 Rb1 N1 66.52(6) . . ?
N4 Rb1 N1 92.74(6) 4 . ?
N3 Rb1 C7 69.45(7) 4 . ?
N4 Rb1 C7 148.00(8) 8_556 . ?
N2 Rb1 C7 102.28(7) 5_656 . ?
N2 Rb1 C7 19.82(6) . . ?
N4 Rb1 C7 129.38(7) 4 . ?
N1 Rb1 C7 48.74(6) . . ?
N3 Rb1 N5 146.23(7) 4 8_556 ?
N4 Rb1 N5 70.64(7) 8_556 8_556 ?
N2 Rb1 N5 62.22(9) 5_656 8_556 ?
N2 Rb1 N5 66.62(8) . 8_556 ?
N4 Rb1 N5 140.68(8) 4 8_556 ?
N1 Rb1 N5 87.62(7) . 8_556 ?
C7 Rb1 N5 77.88(7) . 8_556 ?
N3 Rb1 C13 87.29(7) 4 . ?
N4 Rb1 C13 83.89(7) 8_556 . ?
N2 Rb1 C13 139.97(7) 5_656 . ?
N2 Rb1 C13 100.47(7) . . ?
N4 Rb1 C13 73.55(7) 4 . ?
N1 Rb1 C13 39.84(6) . . ?
C7 Rb1 C13 86.29(7) . . ?
N5 Rb1 C13 82.17(8) 8_556 . ?
N3 Rb1 C18 106.87(8) 4 . ?
N4 Rb1 C18 74.91(8) 8_556 . ?
N2 Rb1 C18 119.21(8) 5_656 . ?
N2 Rb1 C18 93.17(8) . . ?
N4 Rb1 C18 90.73(8) 4 . ?
N1 Rb1 C18 48.67(6) . . ?
C7 Rb1 C18 84.95(8) . . ?
N5 Rb1 C18 60.75(8) 8_556 . ?
C13 Rb1 C18 21.62(7) . . ?
N3 Rb1 C10 155.42(7) 4 8_556 ?
N4 Rb1 C10 15.46(6) 8_556 8_556 ?
N2 Rb1 C10 57.84(7) 5_656 8_556 ?
N2 Rb1 C10 120.49(7) . 8_556 ?
N4 Rb1 C10 91.78(7) 4 8_556 ?
N1 Rb1 C10 122.69(6) . 8_556 ?
C7 Rb1 C10 134.26(7) . 8_556 ?
N5 Rb1 C10 56.39(7) 8_556 8_556 ?
C13 Rb1 C10 88.11(7) . 8_556 ?
C18 Rb1 C10 74.18(7) . 8_556 ?
N3 Rb1 C15 90.48(8) 4 5_666 ?
N4 Rb1 C15 71.76(8) 8_556 5_666 ?
N2 Rb1 C15 58.98(8) 5_656 5_666 ?
N2 Rb1 C15 120.36(8) . 5_666 ?
N4 Rb1 C15 68.57(8) 4 5_666 ?
N1 Rb1 C15 154.11(7) . 5_666 ?
C7 Rb1 C15 131.03(7) . 5_666 ?
N5 Rb1 C15 118.23(8) 8_556 5_666 ?
C13 Rb1 C15 138.65(7) . 5_666 ?
C18 Rb1 C15 143.99(7) . 5_666 ?
C10 Rb1 C15 77.26(7) 8_556 5_666 ?
C6 N1 C2 120.7(2) . . ?
C6 N1 Rb1 107.93(16) . . ?
C2 N1 Rb1 118.98(17) . . ?
C7 N2 Rb1 166.0(2) . 5_656 ?
C7 N2 Rb1 95.81(18) . . ?
Rb1 N2 Rb1 97.47(7) 5_656 . ?
C9 N3 Rb1 134.0(2) . 4_545 ?
C10 N4 Rb1 120.1(2) . 8_455 ?
C10 N4 Rb1 136.2(2) . 4_545 ?
Rb1 N4 Rb1 103.68(8) 8_455 4_545 ?
C11 N5 Rb1 105.6(3) . 8_455 ?
N1 C2 C3 119.3(2) . . ?
N1 C2 C8 116.2(2) . . ?
C3 C2 C8 124.5(2) . . ?
C4 C3 C2 118.4(2) . . ?
C4 C3 C10 119.7(2) . . ?
C2 C3 C10 121.9(2) . . ?
C5 C4 C3 122.0(2) . . ?
C5 C4 C11 120.0(3) . . ?
C3 C4 C11 118.0(3) . . ?
C4 C5 C6 115.3(2) . . ?
C4 C5 C12 121.3(3) . . ?
C6 C5 C12 123.3(3) . . ?
N1 C6 C5 123.5(2) . . ?
N1 C6 C13 114.2(2) . . ?
C5 C6 C13 122.2(2) . . ?
N2 C7 C8 178.4(4) . . ?
N2 C7 Rb1 64.37(17) . . ?
C8 C7 Rb1 115.47(17) . . ?
C9 C8 C7 117.7(2) . . ?
C9 C8 C2 123.5(2) . . ?
C7 C8 C2 118.6(2) . . ?
N3 C9 C8 178.3(3) . . ?
N4 C10 C3 178.8(4) . . ?
N4 C10 Rb1 44.46(17) . 8_455 ?
C3 C10 Rb1 134.66(18) . 8_455 ?
N5 C11 C4 179.4(4) . . ?
C5 C12 H12A 109.5 . . ?
C5 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C5 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C18 C13 C14 118.7(3) . . ?
C18 C13 C6 119.7(3) . . ?
C14 C13 C6 121.6(3) . . ?
C18 C13 Rb1 80.81(19) . . ?
C14 C13 Rb1 102.0(2) . . ?
C6 C13 Rb1 86.15(16) . . ?
C15 C14 C13 120.8(3) . . ?
C15 C14 H14 119.6 . . ?
C13 C14 H14 119.6 . . ?
C16 C15 C14 120.0(3) . . ?
C16 C15 Rb1 101.2(2) . 5_666 ?
C14 C15 Rb1 107.6(2) . 5_666 ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
Rb1 C15 H15 60.2 5_666 . ?
C15 C16 C17 120.2(3) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 H16 119.9 . . ?
C18 C17 C16 120.0(3) . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C13 C18 C17 120.4(3) . . ?
C13 C18 Rb1 77.57(19) . . ?
C17 C18 Rb1 104.5(2) . . ?
C13 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
Rb1 C18 H18 88.0 . . ?
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
Rb1 N3 2.983(3) 4 ?
Rb1 N4 3.015(3) 8_556 ?
Rb1 N2 3.033(2) 5_656 ?
Rb1 N2 3.046(2) . ?
Rb1 N4 3.142(3) 4 ?
Rb1 N1 3.218(2) . ?
Rb1 C7 3.361(3) . ?
Rb1 N5 3.640(4) 8_556 ?
Rb1 C13 3.650(3) . ?
Rb1 C18 3.689(4) . ?
Rb1 C10 3.724(3) 8_556 ?
Rb1 C15 3.733(4) 5_666 ?
N1 C6 1.339(3) . ?
N1 C2 1.354(3) . ?
N2 C7 1.145(4) . ?
N2 Rb1 3.033(2) 5_656 ?
N3 C9 1.150(3) . ?
N3 Rb1 2.983(3) 4_545 ?
N4 C10 1.147(4) . ?
N4 Rb1 3.015(3) 8_455 ?
N4 Rb1 3.142(3) 4_545 ?
N5 C11 1.133(4) . ?
N5 Rb1 3.640(4) 8_455 ?
C2 C3 1.411(4) . ?
C2 C8 1.435(4) . ?
C3 C4 1.405(4) . ?
C3 C10 1.425(4) . ?
C4 C5 1.382(4) . ?
C4 C11 1.446(4) . ?
C5 C6 1.411(4) . ?
C5 C12 1.507(4) . ?
C6 C13 1.487(4) . ?
C7 C8 1.404(4) . ?
C8 C9 1.401(4) . ?
C10 Rb1 3.724(3) 8_455 ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C18 1.377(4) . ?
C13 C14 1.391(4) . ?
C14 C15 1.378(4) . ?
C14 H14 0.9300 . ?
C15 C16 1.359(5) . ?
C15 Rb1 3.733(4) 5_666 ?
C15 H15 0.9300 . ?
C16 C17 1.385(5) . ?
C16 H16 0.9300 . ?
C17 C18 1.379(5) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 N1 C2 C3 7.0(4) . . . . ?
Rb1 N1 C2 C3 -130.5(2) . . . . ?
C6 N1 C2 C8 -174.4(3) . . . . ?
Rb1 N1 C2 C8 48.1(3) . . . . ?
N1 C2 C3 C4 -8.9(4) . . . . ?
C8 C2 C3 C4 172.6(3) . . . . ?
N1 C2 C3 C10 168.7(3) . . . . ?
C8 C2 C3 C10 -9.8(5) . . . . ?
C2 C3 C4 C5 2.7(4) . . . . ?
C10 C3 C4 C5 -175.0(3) . . . . ?
C2 C3 C4 C11 -177.9(3) . . . . ?
C10 C3 C4 C11 4.5(4) . . . . ?
C3 C4 C5 C6 5.0(4) . . . . ?
C11 C4 C5 C6 -174.4(3) . . . . ?
C3 C4 C5 C12 -171.8(3) . . . . ?
C11 C4 C5 C12 8.8(5) . . . . ?
C2 N1 C6 C5 1.3(4) . . . . ?
Rb1 N1 C6 C5 142.9(2) . . . . ?
C2 N1 C6 C13 -179.6(3) . . . . ?
Rb1 N1 C6 C13 -38.0(3) . . . . ?
C4 C5 C6 N1 -7.2(4) . . . . ?
C12 C5 C6 N1 169.4(3) . . . . ?
C4 C5 C6 C13 173.8(3) . . . . ?
C12 C5 C6 C13 -9.6(4) . . . . ?
Rb1 N2 C7 Rb1 -160.9(12) 5_656 . . . ?
Rb1 C7 C8 C9 158.5(2) . . . . ?
Rb1 C7 C8 C2 -25.7(4) . . . . ?
N1 C2 C8 C9 163.2(3) . . . . ?
C3 C2 C8 C9 -18.3(5) . . . . ?
N1 C2 C8 C7 -12.3(4) . . . . ?
C3 C2 C8 C7 166.2(3) . . . . ?
Rb1 N4 C10 Rb1 -179.6(5) 4_545 . . 8_455 ?
C4 C3 C10 Rb1 19.7(4) . . . 8_455 ?
C2 C3 C10 Rb1 -157.9(2) . . . 8_455 ?
N1 C6 C13 C18 -45.9(4) . . . . ?
C5 C6 C13 C18 133.2(3) . . . . ?
N1 C6 C13 C14 133.0(3) . . . . ?
C5 C6 C13 C14 -47.9(4) . . . . ?
N1 C6 C13 Rb1 31.2(2) . . . . ?
C5 C6 C13 Rb1 -149.7(3) . . . . ?
C18 C13 C14 C15 -0.3(5) . . . . ?
C6 C13 C14 C15 -179.2(3) . . . . ?
Rb1 C13 C14 C15 -86.3(3) . . . . ?
C13 C14 C15 C16 -0.7(6) . . . . ?
C13 C14 C15 Rb1 114.1(3) . . . 5_666 ?
C14 C15 C16 C17 1.1(6) . . . . ?
Rb1 C15 C16 C17 -117.0(4) 5_666 . . . ?
C15 C16 C17 C18 -0.5(6) . . . . ?
C14 C13 C18 C17 0.9(5) . . . . ?
C6 C13 C18 C17 179.8(3) . . . . ?
Rb1 C13 C18 C17 99.6(4) . . . . ?
C14 C13 C18 Rb1 -98.8(3) . . . . ?
C6 C13 C18 Rb1 80.2(3) . . . . ?
C16 C17 C18 C13 -0.5(6) . . . . ?
C16 C17 C18 Rb1 83.4(4) . . . . ?
