#------------------------------------------------------------------------------ #$Date: 2025-08-20 20:19:29 +0100 (Wed, 20 Aug 2025) $ #$Revision: 301836 $ #$URL: svn://www.crystallography.net/cod/cif/4/30/10/4301066.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_4301066 loop_ _publ_author_name 'Konu, Jari' 'Chivers, Tristram' 'Schatte, Gabriele' 'Parvez, Masood' 'Laitinen, Risto S.' _publ_section_title ; Formation of N--I Charge-Transfer Bonds and Ion Pairs in Polyiodides with Imidotellurium Cations ; _journal_coden_ASTM INOCAJ _journal_issue 8 _journal_name_full 'Inorganic Chemistry' _journal_page_first 2973 _journal_page_last 2982 _journal_paper_doi 10.1021/ic050058k _journal_volume 44 _journal_year 2005 _chemical_formula_sum 'C13 H30 I3 N3 O Te2' _chemical_formula_weight 880.30 _space_group_IT_number 2 _symmetry_cell_setting triclinic _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-97 _cell_angle_alpha 104.44(3) _cell_angle_beta 101.61(3) _cell_angle_gamma 93.68(3) _cell_formula_units_Z 2 _cell_length_a 9.943(2) _cell_length_b 9.957(2) _cell_length_c 12.931(3) _cell_measurement_temperature 173(2) _cell_volume 1205.5(5) _computing_cell_refinement 'DENZO-SMN (Otwinowski & Minor, 1997)' _computing_data_collection 'KappaCCD Server Software (Nonius, 1997)' _computing_data_reduction DENZO-SMN _computing_molecular_graphics 'DIAMOND (Brandenburg & Berndt, 1999)' _computing_publication_material 'WINGX (Farrugia, 1999)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_structure_solution 'SHELXS97 (Sheldrick, 1997)' _diffrn_ambient_temperature 173(2) _diffrn_measured_fraction_theta_full 0.994 _diffrn_measured_fraction_theta_max 0.994 _diffrn_measurement_device_type 'Bruker Nonius Kappaccd' _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 0.0360 _diffrn_reflns_av_sigmaI/netI 0.0611 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_number 8477 _diffrn_reflns_theta_full 26.00 _diffrn_reflns_theta_max 26.00 _diffrn_reflns_theta_min 2.81 _exptl_absorpt_coefficient_mu 6.266 _exptl_absorpt_correction_T_max 0.7447 _exptl_absorpt_correction_T_min 0.5730 _exptl_absorpt_correction_type multi-scan _exptl_crystal_colour red _exptl_crystal_density_diffrn 2.425 _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 800 _exptl_crystal_size_max 0.10 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.05 _refine_diff_density_max 0.728 _refine_diff_density_min -0.990 _refine_diff_density_rms 0.169 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 0.978 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 199 _refine_ls_number_reflns 4709 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 0.978 _refine_ls_R_factor_all 0.0504 _refine_ls_R_factor_gt 0.0306 _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/[\s^2^(Fo^2^)+(0.0158P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0595 _refine_ls_wR_factor_ref 0.0659 _reflns_number_gt 3581 _reflns_number_total 4709 _reflns_threshold_expression >2sigma(I) _cod_data_source_file ic050058ksi20050114_075231_4.cif _cod_data_source_block cmpd6 _cod_original_cell_volume 1205.5(4) _cod_database_code 4301066 loop_ _symmetry_equiv_pos_as_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_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group I1 I 0.34936(4) 0.48719(5) 0.27830(3) 0.03922(12) Uani 1 1 d . . . I2 I 0.34297(4) 0.74881(4) 0.20158(3) 0.02963(11) Uani 1 1 d . . . I3 I 0.34847(5) 0.99900(4) 0.13186(3) 0.04070(12) Uani 1 1 d . . . Te1 Te 0.15631(4) 0.46933(4) 0.51983(3) 0.02253(10) Uani 1 1 d . . . Te2 Te 0.29568(3) 0.36359(4) 0.72339(3) 0.01966(10) Uani 1 1 d . . . O1 O -0.0263(4) 0.3712(4) 0.4748(3) 0.0268(9) Uani 1 1 d . . . N1 N 0.2089(4) 0.5260(4) 0.6846(3) 0.0218(10) Uani 1 1 d . . . N2 N 0.2220(4) 0.2907(4) 0.5652(3) 0.0234(10) Uani 1 1 d . . . N3 N 0.1461(4) 0.2812(5) 0.7758(3) 0.0250(10) Uani 1 1 d . . . C10 C 0.2296(5) 0.6697(5) 0.7637(4) 0.0229(12) Uani 1 1 d . . . C11 C 0.0925(6) 0.6985(6) 0.7962(5) 0.0304(14) Uani 1 1 d . . . H11A H 0.0220 0.6978 0.7310 0.037 Uiso 1 1 calc R . . H11B H 0.1046 0.7901 0.8495 0.037 Uiso 1 1 calc R . . H11C H 0.0630 0.6260 0.8290 0.037 Uiso 1 1 calc R . . C12 C 0.2805(6) 0.7786(6) 0.7098(5) 0.0346(15) Uani 1 1 d . . . H12A H 0.3682 0.7562 0.6902 0.042 Uiso 1 1 calc R . . H12B H 0.2943 0.8716 0.7613 0.042 Uiso 1 1 calc R . . H12C H 0.2115 0.7772 0.6436 0.042 Uiso 1 1 calc R . . C13 C 0.3393(6) 0.6703(6) 0.8649(5) 0.0349(14) Uani 1 1 d . . . H13A H 0.4271 0.6520 0.8438 0.042 Uiso 1 1 calc R . . H13B H 0.3099 0.5976 0.8974 0.042 Uiso 1 1 calc R . . H13C H 0.3515 0.7617 0.9184 0.042 Uiso 1 1 calc R . . C20 C 0.2636(6) 0.1644(6) 0.4948(4) 0.0246(12) Uani 1 1 d . . . C21 C 0.1609(6) 0.1282(6) 0.3849(5) 0.0347(15) Uani 1 1 d . . . H21A H 0.1672 0.2053 0.3510 0.042 Uiso 1 1 calc R . . H21B H 0.0671 0.1127 0.3959 0.042 Uiso 1 1 calc R . . H21C H 0.1823 0.0431 0.3370 0.042 Uiso 1 1 calc R . . C22 C 0.2557(7) 0.0457(6) 0.5494(5) 0.0422(17) Uani 1 1 d . . . H22A H 0.1619 0.0290 0.5600 0.051 Uiso 1 1 calc R . . H22B H 0.3215 0.0713 0.6207 0.051 Uiso 1 1 calc R . . H22C H 0.2789 -0.0393 0.5028 0.051 Uiso 1 1 calc R . . C23 C 0.4095(6) 0.1917(6) 0.4778(5) 0.0331(14) Uani 1 1 d . . . H23A H 0.4135 0.2681 0.4428 0.040 Uiso 1 1 calc R . . H23B H 0.4329 0.1070 0.4308 0.040 Uiso 1 1 calc R . . H23C H 0.4757 0.2174 0.5488 0.040 Uiso 1 1 calc R . . C30 C 0.1666(5) 0.2549(6) 0.8865(4) 0.0225(12) Uani 1 1 d . . . C31 C 0.3201(5) 0.2676(7) 0.9374(5) 0.0347(15) Uani 1 1 d . . . H31A H 0.3637 0.1995 0.8901 0.042 Uiso 1 1 calc R . . H31B H 0.3327 0.2494 1.0097 0.042 Uiso 1 1 calc R . . H31C H 0.3630 0.3621 0.9455 0.042 Uiso 1 1 calc R . . C32 C 0.0997(7) 0.1073(6) 0.8741(5) 0.0382(15) Uani 1 1 d . . . H32A H 0.1429 0.0392 0.8263 0.046 Uiso 1 1 calc R . . H32B H 0.0006 0.0992 0.8418 0.046 Uiso 1 1 calc R . . H32C H 0.1130 0.0889 0.9463 0.046 Uiso 1 1 calc R . . C33 C 0.1001(6) 0.3613(6) 0.9614(5) 0.0371(15) Uani 1 1 d . . . H33A H 0.0009 0.3536 0.9294 0.045 Uiso 1 1 calc R . . H33B H 0.1432 0.4557 0.9693 0.045 Uiso 1 1 calc R . . H33C H 0.1136 0.3429 1.0335 0.045 Uiso 1 1 calc R . . C41 C 0.0024(6) 0.2742(7) 0.7147(5) 0.0345(15) Uani 1 1 d . . . H41A H 0.0027 0.2923 0.6436 0.041 Uiso 1 1 calc R . . H41B H -0.0447 0.3445 0.7567 0.041 Uiso 1 1 calc R . . H41C H -0.0463 0.1810 0.7030 0.041 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 I1 0.0375(2) 0.0475(3) 0.0401(3) 0.0215(2) 0.01453(19) 0.0024(2) I2 0.01984(19) 0.0442(2) 0.0268(2) 0.01267(18) 0.00522(15) 0.00566(17) I3 0.0483(3) 0.0402(3) 0.0353(2) 0.01399(19) 0.0077(2) 0.0083(2) Te1 0.0262(2) 0.0262(2) 0.01828(19) 0.00964(15) 0.00546(15) 0.00943(16) Te2 0.01686(18) 0.0253(2) 0.01873(19) 0.00909(15) 0.00328(14) 0.00625(15) O1 0.028(2) 0.022(2) 0.027(2) 0.0059(17) -0.0018(17) 0.0033(17) N1 0.028(3) 0.020(2) 0.017(2) 0.0053(19) 0.0015(19) 0.007(2) N2 0.028(3) 0.025(3) 0.020(2) 0.007(2) 0.008(2) 0.014(2) N3 0.023(2) 0.036(3) 0.018(2) 0.012(2) 0.001(2) 0.004(2) C10 0.023(3) 0.024(3) 0.020(3) 0.006(2) 0.002(2) 0.003(2) C11 0.033(3) 0.029(3) 0.031(3) 0.006(3) 0.011(3) 0.010(3) C12 0.033(3) 0.028(3) 0.039(4) 0.012(3) 0.000(3) -0.007(3) C13 0.038(4) 0.028(3) 0.031(3) -0.002(3) 0.000(3) 0.008(3) C20 0.028(3) 0.024(3) 0.022(3) 0.002(2) 0.008(2) 0.011(3) C21 0.030(3) 0.035(4) 0.030(3) -0.004(3) 0.003(3) 0.005(3) C22 0.061(5) 0.031(4) 0.049(4) 0.022(3) 0.025(4) 0.021(3) C23 0.031(3) 0.038(4) 0.030(3) 0.002(3) 0.009(3) 0.012(3) C30 0.019(3) 0.032(3) 0.019(3) 0.009(2) 0.005(2) 0.005(2) C31 0.023(3) 0.059(4) 0.028(3) 0.025(3) 0.001(3) 0.012(3) C32 0.049(4) 0.032(3) 0.034(4) 0.016(3) 0.001(3) -0.001(3) C33 0.031(3) 0.049(4) 0.029(3) 0.003(3) 0.012(3) 0.010(3) C41 0.028(3) 0.046(4) 0.033(4) 0.022(3) 0.003(3) 0.001(3) 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' I I -0.4742 1.8119 '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' Te Te -0.5308 1.6751 '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' 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 I3 I2 I1 177.740(18) . . ? O1 Te1 N1 108.20(17) . . ? O1 Te1 O1 75.90(16) . 2_566 ? N1 Te1 O1 89.25(16) . 2_566 ? O1 Te1 N2 86.88(16) . . ? N1 Te1 N2 74.34(16) . . ? O1 Te1 N2 151.30(15) 2_566 . ? O1 Te1 Te1 40.13(10) . 2_566 ? N1 Te1 Te1 100.34(12) . 2_566 ? O1 Te1 Te1 35.77(10) 2_566 2_566 ? N2 Te1 Te1 123.37(12) . 2_566 ? O1 Te1 Te2 103.77(11) . . ? N1 Te1 Te2 37.78(12) . . ? O1 Te1 Te2 125.35(10) 2_566 . ? N2 Te1 Te2 37.10(12) . . ? Te1 Te1 Te2 121.87(3) 2_566 . ? N2 Te2 N3 99.21(18) . . ? N2 Te2 N1 77.89(17) . . ? N3 Te2 N1 99.96(18) . . ? N2 Te2 Te1 40.52(12) . . ? N3 Te2 Te1 107.49(13) . . ? N1 Te2 Te1 37.93(12) . . ? Te1 O1 Te1 104.10(16) . 2_566 ? C10 N1 Te2 122.9(3) . . ? C10 N1 Te1 129.6(3) . . ? Te2 N1 Te1 104.29(19) . . ? C20 N2 Te2 124.7(3) . . ? C20 N2 Te1 127.6(3) . . ? Te2 N2 Te1 102.38(19) . . ? C41 N3 C30 117.2(4) . . ? C41 N3 Te2 118.2(3) . . ? C30 N3 Te2 123.1(3) . . ? N1 C10 C13 108.3(4) . . ? N1 C10 C11 108.2(4) . . ? C13 C10 C11 109.6(4) . . ? N1 C10 C12 109.6(4) . . ? C13 C10 C12 108.9(5) . . ? C11 C10 C12 112.1(5) . . ? C10 C11 H11A 109.5 . . ? C10 C11 H11B 109.5 . . ? H11A C11 H11B 109.5 . . ? C10 C11 H11C 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? C10 C12 H12A 109.5 . . ? C10 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? C10 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? C10 C13 H13A 109.5 . . ? C10 C13 H13B 109.5 . . ? H13A C13 H13B 109.5 . . ? C10 C13 H13C 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? N2 C20 C21 106.8(4) . . ? N2 C20 C22 108.3(4) . . ? C21 C20 C22 110.5(5) . . ? N2 C20 C23 111.7(4) . . ? C21 C20 C23 109.4(4) . . ? C22 C20 C23 110.1(5) . . ? C20 C21 H21A 109.5 . . ? C20 C21 H21B 109.5 . . ? H21A C21 H21B 109.5 . . ? C20 C21 H21C 109.5 . . ? H21A C21 H21C 109.5 . . ? H21B C21 H21C 109.5 . . ? C20 C22 H22A 109.5 . . ? C20 C22 H22B 109.5 . . ? H22A C22 H22B 109.5 . . ? C20 C22 H22C 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? C20 C23 H23A 109.5 . . ? C20 C23 H23B 109.5 . . ? H23A C23 H23B 109.5 . . ? C20 C23 H23C 109.5 . . ? H23A C23 H23C 109.5 . . ? H23B C23 H23C 109.5 . . ? N3 C30 C31 109.9(4) . . ? N3 C30 C33 110.1(4) . . ? C31 C30 C33 108.8(5) . . ? N3 C30 C32 108.9(4) . . ? C31 C30 C32 109.4(5) . . ? C33 C30 C32 109.6(5) . . ? C30 C31 H31A 109.5 . . ? C30 C31 H31B 109.5 . . ? H31A C31 H31B 109.5 . . ? C30 C31 H31C 109.5 . . ? H31A C31 H31C 109.5 . . ? H31B C31 H31C 109.5 . . ? C30 C32 H32A 109.5 . . ? C30 C32 H32B 109.5 . . ? H32A C32 H32B 109.5 . . ? C30 C32 H32C 109.5 . . ? H32A C32 H32C 109.5 . . ? H32B C32 H32C 109.5 . . ? C30 C33 H33A 109.5 . . ? C30 C33 H33B 109.5 . . ? H33A C33 H33B 109.5 . . ? C30 C33 H33C 109.5 . . ? H33A C33 H33C 109.5 . . ? H33B C33 H33C 109.5 . . ? N3 C41 H41A 109.5 . . ? N3 C41 H41B 109.5 . . ? H41A C41 H41B 109.5 . . ? N3 C41 H41C 109.5 . . ? H41A C41 H41C 109.5 . . ? H41B C41 H41C 109.5 . . ? 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 I1 I2 3.0098(9) . ? I2 I3 2.8538(9) . ? Te1 O1 1.911(4) . ? Te1 N1 2.012(4) . ? Te1 O1 2.107(3) 2_566 ? Te1 N2 2.110(4) . ? Te1 Te1 3.1712(10) 2_566 ? Te1 Te2 3.1716(10) . ? Te2 N2 1.959(4) . ? Te2 N3 1.967(4) . ? Te2 N1 2.005(4) . ? O1 Te1 2.107(3) 2_566 ? N1 C10 1.511(7) . ? N2 C20 1.493(6) . ? N3 C41 1.476(7) . ? N3 C30 1.495(6) . ? C10 C13 1.524(7) . ? C10 C11 1.529(7) . ? C10 C12 1.538(7) . ? C11 H11A 0.9800 . ? C11 H11B 0.9800 . ? C11 H11C 0.9800 . ? C12 H12A 0.9800 . ? C12 H12B 0.9800 . ? C12 H12C 0.9800 . ? C13 H13A 0.9800 . ? C13 H13B 0.9800 . ? C13 H13C 0.9800 . ? C20 C21 1.518(8) . ? C20 C22 1.525(7) . ? C20 C23 1.529(7) . ? C21 H21A 0.9800 . ? C21 H21B 0.9800 . ? C21 H21C 0.9800 . ? C22 H22A 0.9800 . ? C22 H22B 0.9800 . ? C22 H22C 0.9800 . ? C23 H23A 0.9800 . ? C23 H23B 0.9800 . ? C23 H23C 0.9800 . ? C30 C31 1.520(7) . ? C30 C33 1.527(7) . ? C30 C32 1.530(8) . ? C31 H31A 0.9800 . ? C31 H31B 0.9800 . ? C31 H31C 0.9800 . ? C32 H32A 0.9800 . ? C32 H32B 0.9800 . ? C32 H32C 0.9800 . ? C33 H33A 0.9800 . ? C33 H33B 0.9800 . ? C33 H33C 0.9800 . ? C41 H41A 0.9800 . ? C41 H41B 0.9800 . ? C41 H41C 0.9800 . ? 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 O1 Te1 Te2 N2 65.3(2) . . . . ? N1 Te1 Te2 N2 167.4(3) . . . . ? O1 Te1 Te2 N2 147.7(2) 2_566 . . . ? Te1 Te1 Te2 N2 104.6(2) 2_566 . . . ? O1 Te1 Te2 N3 -18.32(18) . . . . ? N1 Te1 Te2 N3 83.7(2) . . . . ? O1 Te1 Te2 N3 64.01(18) 2_566 . . . ? N2 Te1 Te2 N3 -83.7(2) . . . . ? Te1 Te1 Te2 N3 20.92(14) 2_566 . . . ? O1 Te1 Te2 N1 -102.0(2) . . . . ? O1 Te1 Te2 N1 -19.7(2) 2_566 . . . ? N2 Te1 Te2 N1 -167.4(3) . . . . ? Te1 Te1 Te2 N1 -62.8(2) 2_566 . . . ? N1 Te1 O1 Te1 84.45(18) . . . 2_566 ? O1 Te1 O1 Te1 0.0 2_566 . . 2_566 ? N2 Te1 O1 Te1 156.85(18) . . . 2_566 ? Te2 Te1 O1 Te1 123.55(12) . . . 2_566 ? N2 Te2 N1 C10 -169.9(4) . . . . ? N3 Te2 N1 C10 92.7(4) . . . . ? Te1 Te2 N1 C10 -161.6(5) . . . . ? N2 Te2 N1 Te1 -8.35(18) . . . . ? N3 Te2 N1 Te1 -105.7(2) . . . . ? O1 Te1 N1 C10 -111.0(4) . . . . ? O1 Te1 N1 C10 -36.1(4) 2_566 . . . ? N2 Te1 N1 C10 167.7(5) . . . . ? Te1 Te1 N1 C10 -70.3(4) 2_566 . . . ? Te2 Te1 N1 C10 159.8(5) . . . . ? O1 Te1 N1 Te2 89.1(2) . . . . ? O1 Te1 N1 Te2 164.03(18) 2_566 . . . ? N2 Te1 N1 Te2 7.87(17) . . . . ? Te1 Te1 N1 Te2 129.84(15) 2_566 . . . ? N3 Te2 N2 C20 -98.0(4) . . . . ? N1 Te2 N2 C20 163.7(4) . . . . ? Te1 Te2 N2 C20 155.8(5) . . . . ? N3 Te2 N2 Te1 106.2(2) . . . . ? N1 Te2 N2 Te1 7.90(17) . . . . ? O1 Te1 N2 C20 87.4(4) . . . . ? N1 Te1 N2 C20 -162.8(5) . . . . ? O1 Te1 N2 C20 139.9(4) 2_566 . . . ? Te1 Te1 N2 C20 105.0(4) 2_566 . . . ? Te2 Te1 N2 C20 -154.8(5) . . . . ? O1 Te1 N2 Te2 -117.87(19) . . . . ? N1 Te1 N2 Te2 -7.99(17) . . . . ? O1 Te1 N2 Te2 -65.3(4) 2_566 . . . ? Te1 Te1 N2 Te2 -100.21(17) 2_566 . . . ? N2 Te2 N3 C41 -38.0(4) . . . . ? N1 Te2 N3 C41 41.2(4) . . . . ? Te1 Te2 N3 C41 2.8(4) . . . . ? N2 Te2 N3 C30 156.1(4) . . . . ? N1 Te2 N3 C30 -124.7(4) . . . . ? Te1 Te2 N3 C30 -163.1(4) . . . . ? Te2 N1 C10 C13 7.9(6) . . . . ? Te1 N1 C10 C13 -148.6(4) . . . . ? Te2 N1 C10 C11 -110.8(4) . . . . ? Te1 N1 C10 C11 92.6(5) . . . . ? Te2 N1 C10 C12 126.7(4) . . . . ? Te1 N1 C10 C12 -29.9(6) . . . . ? Te2 N2 C20 C21 168.2(4) . . . . ? Te1 N2 C20 C21 -42.2(6) . . . . ? Te2 N2 C20 C22 49.2(6) . . . . ? Te1 N2 C20 C22 -161.3(4) . . . . ? Te2 N2 C20 C23 -72.3(5) . . . . ? Te1 N2 C20 C23 77.3(5) . . . . ? C41 N3 C30 C31 -179.5(5) . . . . ? Te2 N3 C30 C31 -13.5(6) . . . . ? C41 N3 C30 C33 -59.6(6) . . . . ? Te2 N3 C30 C33 106.5(4) . . . . ? C41 N3 C30 C32 60.7(6) . . . . ? Te2 N3 C30 C32 -133.3(4) . . . . ? loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code 1 PubChem 139126274