#------------------------------------------------------------------------------
#$Date: 2023-07-13 05:07:57 +0300 (Thu, 13 Jul 2023) $
#$Revision: 285196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/21/2312153.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2312153
loop_
_publ_author_name
'Nag, Tamali'
'Ovens, Jeffrey S.'
'Bryce, David L.'
_publ_section_title
;
 ⁷⁷Se and ¹²⁵Te solid-state NMR and X-ray
 diffraction structural study of chalcogen-bonded
 3,4-dicyano-1,2,5-chalcogenodiazole cocrystals.
;
_journal_coeditor_code           BS3001
_journal_issue                   'Pt 10'
_journal_name_full
'Acta crystallographica. Section C, Structural chemistry'
_journal_page_first              517
_journal_page_last               523
_journal_paper_doi               10.1107/S2053229622008518
_journal_volume                  78
_journal_year                    2022
_chemical_formula_iupac          'C4 N4 Te, C24 H20 P +, Cl -'
_chemical_formula_moiety         'C4 N4 Te, C24 H20 P +, Cl -'
_chemical_formula_sum            'C28 H20 Cl N4 P Te'
_chemical_formula_weight         606.50
_chemical_name_systematic
;
1,2,5-Tellurodiazole-3,4-dicarbonitrile tetraphenylphosphonium chloride
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_cell_angle_alpha                90
_cell_angle_beta                 106.867(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.2538(5)
_cell_length_b                   7.3008(2)
_cell_length_c                   20.0497(5)
_cell_measurement_reflns_used    9980
_cell_measurement_temperature    208(2)
_cell_measurement_theta_max      30.53
_cell_measurement_theta_min      2.66
_cell_volume                     2557.02(12)
_computing_cell_refinement
;
SAINT (Bruker, 2010)
;
_computing_data_collection
;
APEX3 (Bruker, 2010)
;
_computing_data_reduction
;
SAINT (Bruker, 2010)
;
_computing_structure_refinement
;
SHELXL2018 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT2014 (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      208(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0356
_diffrn_reflns_av_unetI/netI     0.0206
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            58500
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.581
_diffrn_reflns_theta_min         1.790
_exptl_absorpt_coefficient_mu    1.355
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6650
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2010)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.575
_exptl_crystal_description       needle
_exptl_crystal_F_000             1200
_exptl_crystal_size_max          0.534
_exptl_crystal_size_mid          0.164
_exptl_crystal_size_min          0.104
_refine_diff_density_max         0.732
_refine_diff_density_min         -0.487
_refine_ls_abs_structure_details none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         7883
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0389
_refine_ls_R_factor_gt           0.0262
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0250P)²+1.3443P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0560
_refine_ls_wR_factor_ref         0.0609
_reflns_number_gt                6408
_reflns_number_total             7883
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            bs3001sup1.cif
_cod_data_source_block           2c
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2312153
_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Te Te1 0.76837(2) 0.11309(2) 0.40232(2) 0.03137(4) Uani d 1 . .
Cl Cl1 0.82995(4) -0.21490(8) 0.44379(4) 0.06429(18) Uani d 1 . .
P P1 0.53900(2) 0.50383(6) 0.79116(2) 0.02281(8) Uani d 1 . .
N N1 0.63058(15) 0.2746(4) 0.59019(11) 0.0706(7) Uani d 1 . .
N N2 0.73064(9) 0.0947(2) 0.48627(7) 0.0318(3) Uani d 1 . .
N N3 0.71542(9) 0.3628(2) 0.38961(8) 0.0342(3) Uani d 1 . .
N N4 0.60955(13) 0.6811(3) 0.44978(12) 0.0590(5) Uani d 1 . .
C C1 0.65878(13) 0.2594(3) 0.54712(10) 0.0442(5) Uani d 1 . .
C C2 0.69348(10) 0.2427(3) 0.49107(8) 0.0314(4) Uani d 1 . .
C C3 0.68536(10) 0.3871(2) 0.43973(9) 0.0313(3) Uani d 1 . .
C C4 0.64358(12) 0.5536(3) 0.44507(10) 0.0401(4) Uani d 1 . .
C C5 0.51895(9) 0.6486(2) 0.71539(8) 0.0253(3) Uani d 1 . .
C C6 0.54541(11) 0.6101(3) 0.65862(9) 0.0344(4) Uani d 1 . .
H H6 0.574505 0.504130 0.658230 0.041 Uiso calc 1 . .
C C7 0.52839(12) 0.7302(3) 0.60231(10) 0.0443(5) Uani d 1 . .
H H7 0.546203 0.704917 0.563739 0.053 Uiso calc 1 . .
C C8 0.48569(12) 0.8857(3) 0.60252(10) 0.0410(4) Uani d 1 . .
H H8 0.475389 0.966937 0.564530 0.049 Uiso calc 1 . .
C C9 0.45806(12) 0.9228(3) 0.65808(10) 0.0374(4) Uani d 1 . .
H H9 0.428044 1.027677 0.657644 0.045 Uiso calc 1 . .
C C10 0.47469(11) 0.8047(3) 0.71477(9) 0.0328(4) Uani d 1 . .
H H10 0.456069 0.829996 0.752866 0.039 Uiso calc 1 . .
C C11 0.55642(10) 0.6521(2) 0.86513(8) 0.0263(3) Uani d 1 . .
C C12 0.61184(10) 0.7894(3) 0.87283(9) 0.0318(4) Uani d 1 . .
H H12 0.639206 0.801315 0.839924 0.038 Uiso calc 1 . .
C C13 0.62606(11) 0.9071(2) 0.92906(10) 0.0347(4) Uani d 1 . .
H H13 0.663091 0.999740 0.934505 0.042 Uiso calc 1 . .
C C14 0.58572(12) 0.8883(3) 0.97730(9) 0.0373(4) Uani d 1 . .
H H14 0.596101 0.967230 1.015969 0.045 Uiso calc 1 . .
C C15 0.53041(12) 0.7550(3) 0.96921(9) 0.0361(4) Uani d 1 . .
H H15 0.502905 0.744533 1.002063 0.043 Uiso calc 1 . .
C C16 0.51505(10) 0.6361(2) 0.91292(8) 0.0294(3) Uani d 1 . .
H H16 0.477067 0.545648 0.907234 0.035 Uiso calc 1 . .
C C17 0.45931(9) 0.3566(2) 0.78705(8) 0.0239(3) Uani d 1 . .
C C18 0.38917(10) 0.3841(2) 0.73768(9) 0.0290(3) Uani d 1 . .
H H18 0.382532 0.482650 0.706328 0.035 Uiso calc 1 . .
C C19 0.32895(11) 0.2660(3) 0.73467(10) 0.0375(4) Uani d 1 . .
H H19 0.281645 0.282794 0.700683 0.045 Uiso calc 1 . .
C C20 0.33854(12) 0.1233(3) 0.78173(11) 0.0399(4) Uani d 1 . .
H H20 0.297459 0.043856 0.779824 0.048 Uiso calc 1 . .
C C21 0.40827(12) 0.0964(3) 0.83176(10) 0.0367(4) Uani d 1 . .
H H21 0.414100 0.000098 0.863990 0.044 Uiso calc 1 . .
C C22 0.46904(10) 0.2110(2) 0.83420(8) 0.0301(3) Uani d 1 . .
H H22 0.516709 0.191474 0.867346 0.036 Uiso calc 1 . .
C C23 0.62056(9) 0.3594(2) 0.79919(8) 0.0269(3) Uani d 1 . .
C C24 0.68523(10) 0.3713(3) 0.85649(10) 0.0370(4) Uani d 1 . .
H H24 0.688031 0.458834 0.891513 0.044 Uiso calc 1 . .
C C25 0.74562(12) 0.2515(3) 0.86109(13) 0.0516(6) Uani d 1 . .
H H25 0.789755 0.258960 0.899437 0.062 Uiso calc 1 . .
C C26 0.74176(14) 0.1230(3) 0.81068(15) 0.0553(6) Uani d 1 . .
H H26 0.783276 0.043503 0.814499 0.066 Uiso calc 1 . .
C C27 0.67729(14) 0.1092(3) 0.75417(13) 0.0482(5) Uani d 1 . .
H H27 0.675016 0.020198 0.719743 0.058 Uiso calc 1 . .
C C28 0.61616(11) 0.2258(3) 0.74808(10) 0.0348(4) Uani d 1 . .
H H28 0.571945 0.215553 0.709940 0.042 Uiso calc 1 . .
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'
Cl Cl 0.1484 0.1585 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.5308 1.6751 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N2 Te1 N3 . . 84.21(6) ?
N2 Te1 Cl1 . . 83.93(5) ?
N3 Te1 Cl1 . . 168.08(5) ?
C11 P1 C17 . . 110.37(8) ?
C11 P1 C23 . . 109.77(8) ?
C17 P1 C23 . . 107.06(8) ?
C11 P1 C5 . . 106.75(8) ?
C17 P1 C5 . . 110.50(7) ?
C23 P1 C5 . . 112.42(8) ?
C2 N2 Te1 . . 108.80(11) ?
C3 N3 Te1 . . 108.54(12) ?
N1 C1 C2 . . 178.7(3) ?
N2 C2 C1 . . 119.02(17) ?
N2 C2 C3 . . 120.12(16) ?
C1 C2 C3 . . 120.84(17) ?
N3 C3 C2 . . 118.32(16) ?
N3 C3 C4 . . 121.52(17) ?
C2 C3 C4 . . 120.16(16) ?
N4 C4 C3 . . 178.2(2) ?
C6 C5 C10 . . 119.77(16) ?
C6 C5 P1 . . 122.66(13) ?
C10 C5 P1 . . 117.57(12) ?
C5 C6 C7 . . 119.28(18) ?
C5 C6 H6 . . 120.4 ?
C7 C6 H6 . . 120.4 ?
C8 C7 C6 . . 120.66(18) ?
C8 C7 H7 . . 119.7 ?
C6 C7 H7 . . 119.7 ?
C9 C8 C7 . . 120.32(18) ?
C9 C8 H8 . . 119.8 ?
C7 C8 H8 . . 119.8 ?
C8 C9 C10 . . 119.74(18) ?
C8 C9 H9 . . 120.1 ?
C10 C9 H9 . . 120.1 ?
C9 C10 C5 . . 120.21(17) ?
C9 C10 H10 . . 119.9 ?
C5 C10 H10 . . 119.9 ?
C16 C11 C12 . . 120.36(15) ?
C16 C11 P1 . . 121.35(13) ?
C12 C11 P1 . . 118.27(13) ?
C13 C12 C11 . . 119.60(17) ?
C13 C12 H12 . . 120.2 ?
C11 C12 H12 . . 120.2 ?
C12 C13 C14 . . 119.84(18) ?
C12 C13 H13 . . 120.1 ?
C14 C13 H13 . . 120.1 ?
C15 C14 C13 . . 120.57(17) ?
C15 C14 H14 . . 119.7 ?
C13 C14 H14 . . 119.7 ?
C14 C15 C16 . . 120.43(17) ?
C14 C15 H15 . . 119.8 ?
C16 C15 H15 . . 119.8 ?
C11 C16 C15 . . 119.18(17) ?
C11 C16 H16 . . 120.4 ?
C15 C16 H16 . . 120.4 ?
C18 C17 C22 . . 120.13(16) ?
C18 C17 P1 . . 121.02(13) ?
C22 C17 P1 . . 118.85(13) ?
C19 C18 C17 . . 119.86(17) ?
C19 C18 H18 . . 120.1 ?
C17 C18 H18 . . 120.1 ?
C20 C19 C18 . . 119.86(18) ?
C20 C19 H19 . . 120.1 ?
C18 C19 H19 . . 120.1 ?
C19 C20 C21 . . 120.54(18) ?
C19 C20 H20 . . 119.7 ?
C21 C20 H20 . . 119.7 ?
C22 C21 C20 . . 119.99(18) ?
C22 C21 H21 . . 120.0 ?
C20 C21 H21 . . 120.0 ?
C21 C22 C17 . . 119.59(17) ?
C21 C22 H22 . . 120.2 ?
C17 C22 H22 . . 120.2 ?
C24 C23 C28 . . 120.18(17) ?
C24 C23 P1 . . 121.41(14) ?
C28 C23 P1 . . 118.31(13) ?
C25 C24 C23 . . 118.9(2) ?
C25 C24 H24 . . 120.6 ?
C23 C24 H24 . . 120.6 ?
C26 C25 C24 . . 120.9(2) ?
C26 C25 H25 . . 119.5 ?
C24 C25 H25 . . 119.5 ?
C25 C26 C27 . . 120.4(2) ?
C25 C26 H26 . . 119.8 ?
C27 C26 H26 . . 119.8 ?
C26 C27 C28 . . 120.1(2) ?
C26 C27 H27 . . 119.9 ?
C28 C27 H27 . . 119.9 ?
C27 C28 C23 . . 119.45(19) ?
C27 C28 H28 . . 120.3 ?
C23 C28 H28 . . 120.3 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Te1 N2 . 1.9994(15) ?
Te1 N3 . 2.0448(15) ?
Te1 Cl1 . 2.6734(6) ?
P1 C11 . 1.7887(16) ?
P1 C17 . 1.7911(17) ?
P1 C23 . 1.7932(17) ?
P1 C5 . 1.7991(16) ?
N1 C1 . 1.132(3) ?
N2 C2 . 1.295(2) ?
N3 C3 . 1.289(2) ?
N4 C4 . 1.138(3) ?
C1 C2 . 1.446(3) ?
C2 C3 . 1.451(2) ?
C3 C4 . 1.455(3) ?
C5 C6 . 1.388(2) ?
C5 C10 . 1.395(2) ?
C6 C7 . 1.391(3) ?
C6 H6 . 0.9400 ?
C7 C8 . 1.378(3) ?
C7 H7 . 0.9400 ?
C8 C9 . 1.377(3) ?
C8 H8 . 0.9400 ?
C9 C10 . 1.388(3) ?
C9 H9 . 0.9400 ?
C10 H10 . 0.9400 ?
C11 C16 . 1.386(2) ?
C11 C12 . 1.400(2) ?
C12 C13 . 1.381(3) ?
C12 H12 . 0.9400 ?
C13 C14 . 1.382(3) ?
C13 H13 . 0.9400 ?
C14 C15 . 1.378(3) ?
C14 H14 . 0.9400 ?
C15 C16 . 1.386(2) ?
C15 H15 . 0.9400 ?
C16 H16 . 0.9400 ?
C17 C18 . 1.387(2) ?
C17 C22 . 1.399(2) ?
C18 C19 . 1.384(3) ?
C18 H18 . 0.9400 ?
C19 C20 . 1.382(3) ?
C19 H19 . 0.9400 ?
C20 C21 . 1.387(3) ?
C20 H20 . 0.9400 ?
C21 C22 . 1.379(3) ?
C21 H21 . 0.9400 ?
C22 H22 . 0.9400 ?
C23 C24 . 1.391(2) ?
C23 C28 . 1.400(2) ?
C24 C25 . 1.389(3) ?
C24 H24 . 0.9400 ?
C25 C26 . 1.366(4) ?
C25 H25 . 0.9400 ?
C26 C27 . 1.380(4) ?
C26 H26 . 0.9400 ?
C27 C28 . 1.380(3) ?
C27 H27 . 0.9400 ?
C28 H28 . 0.9400 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
C6 H6 N1 . 0.94 2.55 3.397(3) 149.3 yes
C18 H18 N3 3_666 0.94 2.48 3.278(2) 142.1 yes
C24 H24 N2 2_656 0.94 2.66 3.485(2) 146.7 yes
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
Te1 N2 C2 C1 . . . . 178.40(15) ?
Te1 N2 C2 C3 . . . . 0.0(2) ?
Te1 N3 C3 C2 . . . . -0.7(2) ?
Te1 N3 C3 C4 . . . . 179.86(15) ?
N2 C2 C3 N3 . . . . 0.5(3) ?
C1 C2 C3 N3 . . . . -177.89(18) ?
N2 C2 C3 C4 . . . . 179.99(17) ?
C1 C2 C3 C4 . . . . 1.6(3) ?
C11 P1 C5 C6 . . . . 140.98(15) ?
C17 P1 C5 C6 . . . . -98.98(16) ?
C23 P1 C5 C6 . . . . 20.56(18) ?
C11 P1 C5 C10 . . . . -39.24(16) ?
C17 P1 C5 C10 . . . . 80.79(15) ?
C23 P1 C5 C10 . . . . -159.66(14) ?
C10 C5 C6 C7 . . . . 1.1(3) ?
P1 C5 C6 C7 . . . . -179.11(16) ?
C5 C6 C7 C8 . . . . -0.1(3) ?
C6 C7 C8 C9 . . . . -1.2(3) ?
C7 C8 C9 C10 . . . . 1.3(3) ?
C8 C9 C10 C5 . . . . -0.3(3) ?
C6 C5 C10 C9 . . . . -1.0(3) ?
P1 C5 C10 C9 . . . . 179.26(15) ?
C17 P1 C11 C16 . . . . 4.56(17) ?
C23 P1 C11 C16 . . . . -113.21(15) ?
C5 P1 C11 C16 . . . . 124.68(14) ?
C17 P1 C11 C12 . . . . -173.73(13) ?
C23 P1 C11 C12 . . . . 68.50(15) ?
C5 P1 C11 C12 . . . . -53.61(15) ?
C16 C11 C12 C13 . . . . 1.1(3) ?
P1 C11 C12 C13 . . . . 179.39(14) ?
C11 C12 C13 C14 . . . . 0.2(3) ?
C12 C13 C14 C15 . . . . -1.1(3) ?
C13 C14 C15 C16 . . . . 0.8(3) ?
C12 C11 C16 C15 . . . . -1.4(3) ?
P1 C11 C16 C15 . . . . -179.64(14) ?
C14 C15 C16 C11 . . . . 0.5(3) ?
C11 P1 C17 C18 . . . . 106.65(14) ?
C23 P1 C17 C18 . . . . -133.92(14) ?
C5 P1 C17 C18 . . . . -11.18(16) ?
C11 P1 C17 C22 . . . . -74.06(14) ?
C23 P1 C17 C22 . . . . 45.37(14) ?
C5 P1 C17 C22 . . . . 168.10(12) ?
C22 C17 C18 C19 . . . . -0.6(2) ?
P1 C17 C18 C19 . . . . 178.63(13) ?
C17 C18 C19 C20 . . . . 1.2(3) ?
C18 C19 C20 C21 . . . . -0.5(3) ?
C19 C20 C21 C22 . . . . -0.9(3) ?
C20 C21 C22 C17 . . . . 1.5(3) ?
C18 C17 C22 C21 . . . . -0.7(2) ?
P1 C17 C22 C21 . . . . 179.99(13) ?
C11 P1 C23 C24 . . . . -0.02(17) ?
C17 P1 C23 C24 . . . . -119.83(15) ?
C5 P1 C23 C24 . . . . 118.64(15) ?
C11 P1 C23 C28 . . . . 176.35(14) ?
C17 P1 C23 C28 . . . . 56.53(15) ?
C5 P1 C23 C28 . . . . -64.99(16) ?
C28 C23 C24 C25 . . . . 1.5(3) ?
P1 C23 C24 C25 . . . . 177.76(16) ?
C23 C24 C25 C26 . . . . -0.5(3) ?
C24 C25 C26 C27 . . . . -0.3(4) ?
C25 C26 C27 C28 . . . . 0.2(4) ?
C26 C27 C28 C23 . . . . 0.8(3) ?
C24 C23 C28 C27 . . . . -1.6(3) ?
P1 C23 C28 C27 . . . . -178.06(15) ?

_cod_database_fobs_code 2312153
