#------------------------------------------------------------------------------
#$Date: 2025-08-20 21:19:29 +0200 (Wed 20 de Aug de 2025) $
#$Revision: 301836 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/27/4302729.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_4302729
loop_
_publ_author_name
'Stuart D. Robertson'
'Tristram Chivers'
'Heikki M. Tuononen'
_publ_contact_author_address
;
Department of Chemistry
University of Calgary, Calgary, Alberta 
T2N 1N4, Canada
;
_publ_contact_author_name        'Prof. T. Chivers'
_publ_section_title
;
Experimental and Theoretical Investigations of the Contact Ion Pairs Formed
by Reactions of the Anions [(EPR2)2N]- (R =iPr,tBu; E = S, Se) with the
Cations [(TePR2)2N]+ (R =iPr,tBu)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6755
_journal_page_last               6762
_journal_paper_doi               10.1021/ic900703e
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C32 H72 N2 P4 S2 Te2'
_chemical_formula_sum            'C32 H72 N2 P4 S2 Te2'
_chemical_formula_weight         928.12
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     Patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.2021(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.4711(6)
_cell_length_b                   14.2349(3)
_cell_length_c                   18.8467(7)
_cell_measurement_reflns_used    37963
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.00
_cell_volume                     4384.0(2)
_computing_cell_refinement       'Nonius DENZO'
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        'Nonius DENZO'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'phiω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0774
_diffrn_reflns_av_sigmaI/netI    0.0596
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            35602
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.61
_exptl_absorpt_coefficient_mu    1.595
_exptl_absorpt_correction_T_max  0.826
_exptl_absorpt_correction_T_min  0.679
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements 
 Sortav (Blessing 1995)
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.406
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             1896
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.321
_refine_diff_density_min         -1.311
_refine_diff_density_rms         0.166
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     403
_refine_ls_number_reflns         7736
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0682
_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
'calc w=1/[σ²(Fo²)+(0.0388P)²+8.6279P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0871
_refine_ls_wR_factor_ref         0.0987
_reflns_number_gt                5872
_reflns_number_total             7736
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic900703e_si_001_2.cif
_cod_data_source_block           6c
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4302729
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Te1 Te 0.810371(19) 0.33875(2) 0.799864(16) 0.02717(10) Uani 1 1 d . . .
Te2 Te 0.89604(2) 0.23663(2) 0.701112(18) 0.03396(11) Uani 1 1 d . . .
P1 P 0.83980(8) 0.19596(9) 0.88410(7) 0.0290(3) Uani 1 1 d . . .
P2 P 0.85219(7) 0.09032(8) 0.75192(7) 0.0256(3) Uani 1 1 d . . .
N1 N 0.8477(2) 0.1034(3) 0.8354(2) 0.0266(9) Uani 1 1 d . . .
C10 C 0.7525(3) 0.1701(3) 0.9367(3) 0.0378(13) Uani 1 1 d . . .
C11 C 0.6719(3) 0.1862(4) 0.8880(3) 0.0473(15) Uani 1 1 d . . .
H11A H 0.6258 0.1730 0.9147 0.071 Uiso 1 1 calc R . .
H11B H 0.6693 0.1442 0.8466 0.071 Uiso 1 1 calc R . .
H11C H 0.6691 0.2516 0.8717 0.071 Uiso 1 1 calc R . .
C12 C 0.7515(4) 0.2331(4) 1.0034(3) 0.0445(14) Uani 1 1 d . . .
H12A H 0.7001 0.2236 1.0236 0.067 Uiso 1 1 calc R . .
H12B H 0.7560 0.2991 0.9897 0.067 Uiso 1 1 calc R . .
H12C H 0.7976 0.2166 1.0392 0.067 Uiso 1 1 calc R . .
C13 C 0.7570(4) 0.0669(4) 0.9601(3) 0.0577(18) Uani 1 1 d . . .
H13A H 0.7095 0.0517 0.9845 0.087 Uiso 1 1 calc R . .
H13B H 0.8074 0.0564 0.9927 0.087 Uiso 1 1 calc R . .
H13C H 0.7570 0.0265 0.9179 0.087 Uiso 1 1 calc R . .
C20 C 0.9373(4) 0.2213(4) 0.9441(3) 0.0409(13) Uani 1 1 d . . .
C21 C 1.0052(3) 0.2321(4) 0.8966(3) 0.0499(15) Uani 1 1 d . . .
H21A H 1.0566 0.2476 0.9262 0.075 Uiso 1 1 calc R . .
H21B H 0.9909 0.2826 0.8619 0.075 Uiso 1 1 calc R . .
H21C H 1.0116 0.1731 0.8711 0.075 Uiso 1 1 calc R . .
C22 C 0.9310(4) 0.3151(4) 0.9851(3) 0.0539(16) Uani 1 1 d . . .
H22A H 0.9850 0.3321 1.0095 0.081 Uiso 1 1 calc R . .
H22B H 0.8926 0.3076 1.0204 0.081 Uiso 1 1 calc R . .
H22C H 0.9114 0.3648 0.9512 0.081 Uiso 1 1 calc R . .
C23 C 0.9581(5) 0.1394(5) 0.9974(3) 0.068(2) Uani 1 1 d . . .
H23A H 1.0122 0.1500 1.0243 0.101 Uiso 1 1 calc R . .
H23B H 0.9584 0.0802 0.9709 0.101 Uiso 1 1 calc R . .
H23C H 0.9169 0.1363 1.0305 0.101 Uiso 1 1 calc R . .
C30 C 0.7503(3) 0.0564(3) 0.7039(3) 0.0328(12) Uani 1 1 d . . .
C31 C 0.6952(3) 0.1440(4) 0.6952(3) 0.0420(13) Uani 1 1 d . . .
H31A H 0.6393 0.1254 0.6767 0.063 Uiso 1 1 calc R . .
H31B H 0.7162 0.1878 0.6618 0.063 Uiso 1 1 calc R . .
H31C H 0.6951 0.1747 0.7418 0.063 Uiso 1 1 calc R . .
C32 C 0.7090(3) -0.0172(4) 0.7470(3) 0.0458(15) Uani 1 1 d . . .
H32A H 0.6526 -0.0273 0.7248 0.069 Uiso 1 1 calc R . .
H32B H 0.7087 0.0051 0.7961 0.069 Uiso 1 1 calc R . .
H32C H 0.7393 -0.0765 0.7475 0.069 Uiso 1 1 calc R . .
C33 C 0.7561(4) 0.0183(4) 0.6286(3) 0.0525(16) Uani 1 1 d . . .
H33A H 0.7010 0.0121 0.6026 0.079 Uiso 1 1 calc R . .
H33B H 0.7828 -0.0434 0.6322 0.079 Uiso 1 1 calc R . .
H33C H 0.7883 0.0617 0.6029 0.079 Uiso 1 1 calc R . .
C40 C 0.9312(3) -0.0005(3) 0.7392(3) 0.0380(13) Uani 1 1 d . . .
C41 C 1.0085(3) 0.0218(4) 0.7907(4) 0.0535(16) Uani 1 1 d . . .
H41A H 1.0511 -0.0244 0.7844 0.080 Uiso 1 1 calc R . .
H41B H 0.9957 0.0192 0.8401 0.080 Uiso 1 1 calc R . .
H41C H 1.0280 0.0848 0.7806 0.080 Uiso 1 1 calc R . .
C42 C 0.9558(4) 0.0008(4) 0.6628(3) 0.0550(17) Uani 1 1 d . . .
H42A H 1.0036 -0.0397 0.6609 0.082 Uiso 1 1 calc R . .
H42B H 0.9694 0.0652 0.6502 0.082 Uiso 1 1 calc R . .
H42C H 0.9101 -0.0222 0.6290 0.082 Uiso 1 1 calc R . .
C43 C 0.9009(4) -0.0985(4) 0.7581(4) 0.0546(17) Uani 1 1 d . . .
H43A H 0.9459 -0.1438 0.7591 0.082 Uiso 1 1 calc R . .
H43B H 0.8558 -0.1178 0.7222 0.082 Uiso 1 1 calc R . .
H43C H 0.8817 -0.0964 0.8053 0.082 Uiso 1 1 calc R . .
S1 S 0.71923(9) 0.43941(9) 0.89732(7) 0.0365(3) Uani 1 1 d . . .
S2 S 0.76562(8) 0.48167(9) 0.67341(7) 0.0340(3) Uani 1 1 d . . .
P3 P 0.68261(8) 0.56671(8) 0.85637(6) 0.0248(3) Uani 1 1 d . . .
P4 P 0.66309(8) 0.54586(8) 0.69360(6) 0.0251(3) Uani 1 1 d . . .
N2 N 0.6552(2) 0.5793(2) 0.7737(2) 0.0270(9) Uani 1 1 d . . .
C50 C 0.5890(3) 0.5935(3) 0.8998(3) 0.0303(11) Uani 1 1 d . . .
C51 C 0.5269(3) 0.5149(4) 0.8805(3) 0.0422(13) Uani 1 1 d . . .
H51A H 0.4771 0.5279 0.9022 0.063 Uiso 1 1 calc R . .
H51B H 0.5503 0.4549 0.8985 0.063 Uiso 1 1 calc R . .
H51C H 0.5136 0.5116 0.8284 0.063 Uiso 1 1 calc R . .
C52 C 0.5491(4) 0.6857(4) 0.8706(3) 0.0465(14) Uani 1 1 d . . .
H52A H 0.4982 0.6960 0.8913 0.070 Uiso 1 1 calc R . .
H52B H 0.5371 0.6818 0.8184 0.070 Uiso 1 1 calc R . .
H52C H 0.5867 0.7381 0.8834 0.070 Uiso 1 1 calc R . .
C53 C 0.6067(4) 0.5990(4) 0.9813(3) 0.0476(15) Uani 1 1 d . . .
H53A H 0.5552 0.6065 1.0016 0.071 Uiso 1 1 calc R . .
H53B H 0.6424 0.6529 0.9947 0.071 Uiso 1 1 calc R . .
H53C H 0.6340 0.5412 0.9997 0.071 Uiso 1 1 calc R . .
C60 C 0.7687(3) 0.6495(4) 0.8851(3) 0.0365(12) Uani 1 1 d . . .
C61 C 0.8037(4) 0.6397(5) 0.9645(3) 0.0621(18) Uani 1 1 d . . .
H61A H 0.8540 0.6770 0.9740 0.093 Uiso 1 1 calc R . .
H61B H 0.8161 0.5736 0.9754 0.093 Uiso 1 1 calc R . .
H61C H 0.7634 0.6624 0.9945 0.093 Uiso 1 1 calc R . .
C62 C 0.8377(3) 0.6210(4) 0.8411(3) 0.0486(15) Uani 1 1 d . . .
H62A H 0.8839 0.6644 0.8514 0.073 Uiso 1 1 calc R . .
H62B H 0.8173 0.6237 0.7900 0.073 Uiso 1 1 calc R . .
H62C H 0.8557 0.5570 0.8539 0.073 Uiso 1 1 calc R . .
C63 C 0.7448(4) 0.7516(4) 0.8683(4) 0.0534(16) Uani 1 1 d . . .
H63A H 0.7940 0.7909 0.8737 0.080 Uiso 1 1 calc R . .
H63B H 0.7073 0.7732 0.9014 0.080 Uiso 1 1 calc R . .
H63C H 0.7176 0.7561 0.8191 0.080 Uiso 1 1 calc R . .
C70 C 0.5753(3) 0.4636(3) 0.6655(2) 0.0285(11) Uani 1 1 d . . .
C71 C 0.5833(3) 0.3832(3) 0.7207(3) 0.0351(12) Uani 1 1 d . . .
H71A H 0.5351 0.3424 0.7124 0.053 Uiso 1 1 calc R . .
H71B H 0.5872 0.4096 0.7690 0.053 Uiso 1 1 calc R . .
H71C H 0.6326 0.3466 0.7157 0.053 Uiso 1 1 calc R . .
C72 C 0.5803(3) 0.4181(4) 0.5920(3) 0.0419(13) Uani 1 1 d . . .
H72A H 0.5378 0.3699 0.5829 0.063 Uiso 1 1 calc R . .
H72B H 0.6343 0.3891 0.5917 0.063 Uiso 1 1 calc R . .
H72C H 0.5722 0.4662 0.5546 0.063 Uiso 1 1 calc R . .
C73 C 0.4924(3) 0.5108(4) 0.6649(3) 0.0433(14) Uani 1 1 d . . .
H73A H 0.4493 0.4629 0.6606 0.065 Uiso 1 1 calc R . .
H73B H 0.4832 0.5541 0.6243 0.065 Uiso 1 1 calc R . .
H73C H 0.4912 0.5458 0.7096 0.065 Uiso 1 1 calc R . .
C80 C 0.6533(4) 0.6574(3) 0.6396(3) 0.0401(13) Uani 1 1 d . . .
C81 C 0.5873(4) 0.7224(4) 0.6635(3) 0.0528(16) Uani 1 1 d . . .
H81A H 0.5856 0.7811 0.6361 0.079 Uiso 1 1 calc R . .
H81B H 0.6003 0.7364 0.7146 0.079 Uiso 1 1 calc R . .
H81C H 0.5339 0.6913 0.6551 0.079 Uiso 1 1 calc R . .
C82 C 0.6343(5) 0.6364(4) 0.5593(3) 0.0593(19) Uani 1 1 d . . .
H82A H 0.6341 0.6952 0.5322 0.089 Uiso 1 1 calc R . .
H82B H 0.5806 0.6063 0.5497 0.089 Uiso 1 1 calc R . .
H82C H 0.6763 0.5942 0.5447 0.089 Uiso 1 1 calc R . .
C83 C 0.7355(4) 0.7088(4) 0.6526(3) 0.0560(17) Uani 1 1 d . . .
H83A H 0.7323 0.7673 0.6250 0.084 Uiso 1 1 calc R . .
H83B H 0.7786 0.6687 0.6376 0.084 Uiso 1 1 calc R . .
H83C H 0.7482 0.7232 0.7036 0.084 Uiso 1 1 calc R . .
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Te1 Te2 86.01(3) . . ?
P1 Te1 S1 94.12(4) . . ?
Te2 Te1 S1 178.23(3) . . ?
P2 Te2 Te1 89.08(3) . . ?
N1 P1 C20 111.9(2) . . ?
N1 P1 C10 105.1(2) . . ?
C20 P1 C10 111.8(3) . . ?
N1 P1 Te1 108.28(14) . . ?
C20 P1 Te1 107.38(17) . . ?
C10 P1 Te1 112.34(17) . . ?
N1 P2 C30 111.0(2) . . ?
N1 P2 C40 109.0(2) . . ?
C30 P2 C40 110.9(2) . . ?
N1 P2 Te2 109.87(14) . . ?
C30 P2 Te2 108.83(17) . . ?
C40 P2 Te2 107.15(17) . . ?
P2 N1 P1 132.1(2) . . ?
C13 C10 C11 108.8(5) . . ?
C13 C10 C12 109.1(4) . . ?
C11 C10 C12 107.6(5) . . ?
C13 C10 P1 109.0(4) . . ?
C11 C10 P1 108.5(4) . . ?
C12 C10 P1 113.6(4) . . ?
C21 C20 C23 109.7(5) . . ?
C21 C20 C22 107.8(5) . . ?
C23 C20 C22 110.4(5) . . ?
C21 C20 P1 107.4(3) . . ?
C23 C20 P1 110.4(4) . . ?
C22 C20 P1 111.1(4) . . ?
C33 C30 C32 109.3(4) . . ?
C33 C30 C31 107.1(4) . . ?
C32 C30 C31 108.4(4) . . ?
C33 C30 P2 112.5(4) . . ?
C32 C30 P2 110.5(4) . . ?
C31 C30 P2 108.9(3) . . ?
C41 C40 C43 108.0(5) . . ?
C41 C40 C42 107.1(5) . . ?
C43 C40 C42 111.0(5) . . ?
C41 C40 P2 108.1(3) . . ?
C43 C40 P2 110.2(4) . . ?
C42 C40 P2 112.3(4) . . ?
P3 S1 Te1 110.71(6) . . ?
N2 P3 C60 109.1(2) . . ?
N2 P3 C50 105.0(2) . . ?
C60 P3 C50 112.4(2) . . ?
N2 P3 S1 120.74(15) . . ?
C60 P3 S1 105.88(18) . . ?
C50 P3 S1 103.72(16) . . ?
N2 P4 C80 104.3(2) . . ?
N2 P4 C70 107.4(2) . . ?
C80 P4 C70 111.2(2) . . ?
N2 P4 S2 118.99(16) . . ?
C80 P4 S2 107.48(19) . . ?
C70 P4 S2 107.45(16) . . ?
P3 N2 P4 148.2(3) . . ?
C51 C50 C53 108.4(4) . . ?
C51 C50 C52 107.3(4) . . ?
C53 C50 C52 109.5(4) . . ?
C51 C50 P3 108.1(3) . . ?
C53 C50 P3 112.6(4) . . ?
C52 C50 P3 110.8(3) . . ?
C63 C60 C61 110.0(5) . . ?
C63 C60 C62 109.1(5) . . ?
C61 C60 C62 106.7(5) . . ?
C63 C60 P3 111.9(4) . . ?
C61 C60 P3 113.7(4) . . ?
C62 C60 P3 105.2(3) . . ?
C73 C70 C71 109.5(4) . . ?
C73 C70 C72 109.2(4) . . ?
C71 C70 C72 106.5(4) . . ?
C73 C70 P4 112.6(3) . . ?
C71 C70 P4 105.9(3) . . ?
C72 C70 P4 112.8(3) . . ?
C83 C80 C82 108.5(5) . . ?
C83 C80 C81 108.0(4) . . ?
C82 C80 C81 110.0(5) . . ?
C83 C80 P4 107.6(4) . . ?
C82 C80 P4 111.2(3) . . ?
C81 C80 P4 111.5(4) . . ?
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
Te1 P1 2.5872(13) . ?
Te1 Te2 2.8682(7) . ?
Te1 S1 2.8934(14) . ?
Te2 P2 2.4391(13) . ?
P1 N1 1.619(4) . ?
P1 C20 1.879(5) . ?
P1 C10 1.883(5) . ?
P2 N1 1.596(4) . ?
P2 C30 1.868(5) . ?
P2 C40 1.872(5) . ?
C10 C13 1.533(7) . ?
C10 C11 1.533(8) . ?
C10 C12 1.547(7) . ?
C20 C21 1.526(8) . ?
C20 C23 1.548(8) . ?
C20 C22 1.552(8) . ?
C30 C33 1.534(7) . ?
C30 C32 1.536(7) . ?
C30 C31 1.539(7) . ?
C40 C41 1.534(8) . ?
C40 C43 1.538(7) . ?
C40 C42 1.543(8) . ?
S1 P3 2.0313(17) . ?
S2 P4 1.9982(18) . ?
P3 N2 1.576(4) . ?
P3 C60 1.871(5) . ?
P3 C50 1.873(5) . ?
P4 N2 1.604(4) . ?
P4 C80 1.882(5) . ?
P4 C70 1.884(5) . ?
C50 C51 1.527(7) . ?
C50 C53 1.529(7) . ?
C50 C52 1.538(7) . ?
C60 C63 1.529(7) . ?
C60 C61 1.541(8) . ?
C60 C62 1.542(7) . ?
C70 C73 1.520(7) . ?
C70 C71 1.541(7) . ?
C70 C72 1.543(7) . ?
C80 C83 1.532(8) . ?
C80 C82 1.537(7) . ?
C80 C81 1.537(8) . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139126882
