#------------------------------------------------------------------------------
#$Date: 2017-10-14 22:58:33 +0300 (Sat, 14 Oct 2017) $
#$Revision: 202018 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/07/8100708.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_8100708
loop_
_publ_author_name
'Farran, Joan'
'Torres-Castellanos, Libardo'
'Alvarez-Larena, Angel'
'Piniella, Joan F.'
'Capparelli, Mario V.'
_publ_section_title
;
Crystal structure of bis(4-dimethylaminophenyl)telluride, (4-Me₂NC₆H₄)
₂Te
;
_journal_issue                   3
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              427
_journal_page_last               429
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C16 H20 N2 Te'
_chemical_formula_structural     '(4-Me2 N C6 H4)2 Te'
_chemical_formula_sum            'C16 H20 N2 Te'
_chemical_formula_weight         367.94
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                102.29(1)
_cell_angle_beta                 94.142(7)
_cell_angle_gamma                94.05(1)
_cell_formula_units_Z            4
_cell_length_a                   9.9090(6)
_cell_length_b                   10.405(3)
_cell_length_c                   15.803(2)
_cell_measurement_temperature    298(2)
_cell_volume                     1581.6(5)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.545
_refine_diff_density_rms         0.059
_cod_database_code               8100708
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_Wyckoff_symbol
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Te1 Te 0.26932(3) -0.27655(3) 0.55711(2) 0.06807(12) Uani 1 2 i d . . .
N1 N -0.3062(4) -0.2521(4) 0.7001(3) 0.0818(12) Uani 1 2 i d . . .
N2 N 0.0781(4) -0.2303(5) 0.1765(3) 0.0843(14) Uani 1 2 i d . . .
C11 C 0.0794(5) -0.2669(5) 0.6088(3) 0.0620(11) Uani 1 2 i d . . .
C12 C 0.0031(5) -0.3810(4) 0.6154(3) 0.0645(12) Uani 1 2 i d . . .
H12 H 0.0373 -0.4625 0.5978 0.077 Uiso 1 2 i calc R . .
C13 C -0.1217(5) -0.3754(4) 0.6473(3) 0.0658(12) Uani 1 2 i d . . .
H13 H -0.1693 -0.4532 0.6526 0.079 Uiso 1 2 i calc R . .
C14 C -0.1787(5) -0.2571(5) 0.6719(3) 0.0618(12) Uani 1 2 i d . . .
C15 C -0.1018(5) -0.1423(5) 0.6659(3) 0.0665(12) Uani 1 2 i d . . .
H15 H -0.1364 -0.0609 0.6829 0.080 Uiso 1 2 i calc R . .
C16 C 0.0251(5) -0.1480(4) 0.6351(3) 0.0666(12) Uani 1 2 i d . . .
H16 H 0.0748 -0.0701 0.6320 0.080 Uiso 1 2 i calc R . .
C17 C -0.3844(5) -0.3703(6) 0.7073(4) 0.0948(17) Uani 1 2 i d . . .
H171 H -0.4706 -0.3484 0.7278 0.142 Uiso 1 2 i calc R . .
H172 H -0.3362 -0.4119 0.7475 0.142 Uiso 1 2 i calc R . .
H173 H -0.3988 -0.4298 0.6513 0.142 Uiso 1 2 i calc R . .
C18 C -0.3650(5) -0.1289(6) 0.7259(4) 0.0902(16) Uani 1 2 i d . . .
H181 H -0.4543 -0.1453 0.7434 0.135 Uiso 1 2 i calc R . .
H182 H -0.3711 -0.0860 0.6778 0.135 Uiso 1 2 i calc R . .
H183 H -0.3090 -0.0732 0.7737 0.135 Uiso 1 2 i calc R . .
C21 C 0.2009(4) -0.2562(4) 0.4312(3) 0.0502(9) Uani 1 2 i d . . .
C22 C 0.0676(4) -0.2441(4) 0.4058(3) 0.0565(10) Uani 1 2 i d . . .
H22 H 0.0029 -0.2429 0.4457 0.068 Uiso 1 2 i calc R . .
C23 C 0.0281(4) -0.2337(4) 0.3224(3) 0.0566(10) Uani 1 2 i d . . .
H23 H -0.0628 -0.2249 0.3075 0.068 Uiso 1 2 i calc R . .
C24 C 0.1185(4) -0.2358(4) 0.2611(3) 0.0539(10) Uani 1 2 i d . . .
C25 C 0.2538(4) -0.2490(5) 0.2864(3) 0.0643(12) Uani 1 2 i d . . .
H25 H 0.3180 -0.2523 0.2461 0.077 Uiso 1 2 i calc R . .
C26 C 0.2936(4) -0.2572(4) 0.3701(3) 0.0623(11) Uani 1 2 i d . . .
H26 H 0.3848 -0.2636 0.3857 0.075 Uiso 1 2 i calc R . .
C27 C -0.0579(4) -0.2004(6) 0.1543(3) 0.0778(14) Uani 1 2 i d . . .
H271 H -0.0694 -0.2003 0.0935 0.117 Uiso 1 2 i calc R . .
H272 H -0.0731 -0.1150 0.1878 0.117 Uiso 1 2 i calc R . .
H273 H -0.1219 -0.2659 0.1669 0.117 Uiso 1 2 i calc R . .
C28 C 0.1753(5) -0.2250(5) 0.1133(3) 0.0748(13) Uani 1 2 i d . . .
H281 H 0.1284 -0.2215 0.0586 0.112 Uiso 1 2 i calc R . .
H282 H 0.2244 -0.3023 0.1062 0.112 Uiso 1 2 i calc R . .
H283 H 0.2376 -0.1477 0.1330 0.112 Uiso 1 2 i calc R . .
Te2 Te -0.49420(3) -0.24530(4) 0.00349(2) 0.07846(14) Uani 1 2 i d . . .
N3 N 0.0866(4) -0.2908(4) -0.1323(3) 0.0811(12) Uani 1 2 i d . . .
N4 N -0.3271(4) -0.2277(4) 0.3986(2) 0.0687(10) Uani 1 2 i d . . .
C31 C -0.3010(5) -0.2606(5) -0.0428(3) 0.0636(12) Uani 1 2 i d . . .
C32 C -0.2446(5) -0.3803(5) -0.0619(3) 0.0745(13) Uani 1 2 i d . . .
H32 H -0.2937 -0.4557 -0.0540 0.089 Uiso 1 2 i calc R . .
C33 C -0.1191(5) -0.3912(5) -0.0918(3) 0.0755(13) Uani 1 2 i d . . .
H33 H -0.0857 -0.4739 -0.1042 0.091 Uiso 1 2 i calc R . .
C34 C -0.0394(5) -0.2814(5) -0.1044(3) 0.0646(12) Uani 1 2 i d . . .
C35 C -0.0975(5) -0.1595(5) -0.0860(3) 0.0713(13) Uani 1 2 i d . . .
H35 H -0.0489 -0.0838 -0.0939 0.086 Uiso 1 2 i calc R . .
C36 C -0.2248(5) -0.1505(5) -0.0565(3) 0.0665(12) Uani 1 2 i d . . .
H36 H -0.2606 -0.0690 -0.0455 0.080 Uiso 1 2 i calc R . .
C37 C 0.1399(6) -0.4162(6) -0.1574(4) 0.1017(19) Uani 1 2 i d . . .
H371 H 0.2297 -0.4037 -0.1751 0.153 Uiso 1 2 i calc R . .
H372 H 0.0822 -0.4705 -0.2049 0.153 Uiso 1 2 i calc R . .
H373 H 0.1436 -0.4585 -0.1090 0.153 Uiso 1 2 i calc R . .
C38 C 0.1663(5) -0.1759(6) -0.1467(3) 0.0899(17) Uani 1 2 i d . . .
H381 H 0.2521 -0.2013 -0.1662 0.135 Uiso 1 2 i calc R . .
H382 H 0.1815 -0.1103 -0.0934 0.135 Uiso 1 2 i calc R . .
H383 H 0.1181 -0.1403 -0.1901 0.135 Uiso 1 2 i calc R . .
C41 C -0.4339(4) -0.2398(5) 0.1356(3) 0.0628(11) Uani 1 2 i d . . .
C42 C -0.4251(4) -0.3538(5) 0.1656(3) 0.0672(12) Uani 1 2 i d . . .
H42 H -0.4448 -0.4351 0.1272 0.081 Uiso 1 2 i calc R . .
C43 C -0.3871(4) -0.3489(4) 0.2522(3) 0.0618(11) Uani 1 2 i d . . .
H43 H -0.3795 -0.4277 0.2703 0.074 Uiso 1 2 i calc R . .
C44 C -0.3602(4) -0.2309(4) 0.3128(3) 0.0494(9) Uani 1 2 i d . . .
C45 C -0.3715(4) -0.1161(4) 0.2814(3) 0.0569(10) Uani 1 2 i d . . .
H45 H -0.3545 -0.0345 0.3200 0.068 Uiso 1 2 i calc R . .
C46 C -0.4070(4) -0.1201(4) 0.1951(3) 0.0573(10) Uani 1 2 i d . . .
H46 H -0.4129 -0.0417 0.1763 0.069 Uiso 1 2 i calc R . .
C47 C -0.3144(5) -0.3471(5) 0.4287(4) 0.0857(16) Uani 1 2 i d . . .
H471 H -0.2910 -0.3261 0.4904 0.129 Uiso 1 2 i calc R . .
H472 H -0.2447 -0.3943 0.4002 0.129 Uiso 1 2 i calc R . .
H473 H -0.3992 -0.4009 0.4157 0.129 Uiso 1 2 i calc R . .
C48 C -0.3135(6) -0.1059(5) 0.4635(3) 0.0892(16) Uani 1 2 i d . . .
H481 H -0.2901 -0.1238 0.5196 0.134 Uiso 1 2 i calc R . .
H482 H -0.3980 -0.0661 0.4640 0.134 Uiso 1 2 i calc R . .
H483 H -0.2434 -0.0468 0.4501 0.134 Uiso 1 2 i calc R . .
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 C11 2.105(5) . ?
Te1 C21 2.114(4) . ?
N1 C14 1.371(6) . ?
N1 C17 1.437(6) . ?
N1 C18 1.437(6) . ?
N2 C24 1.381(6) . ?
N2 C27 1.440(5) . ?
N2 C28 1.443(5) . ?
C11 C16 1.379(6) . ?
C11 C12 1.389(6) . ?
C12 C13 1.369(6) . ?
C12 H12 0.9300 . ?
C13 C14 1.383(6) . ?
C13 H13 0.9300 . ?
C14 C15 1.395(6) . ?
C15 C16 1.382(6) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C17 H171 0.9600 . ?
C17 H172 0.9600 . ?
C17 H173 0.9600 . ?
C18 H181 0.9600 . ?
C18 H182 0.9600 . ?
C18 H183 0.9600 . ?
C21 C22 1.375(5) . ?
C21 C26 1.380(6) . ?
C22 C23 1.376(6) . ?
C22 H22 0.9300 . ?
C23 C24 1.365(6) . ?
C23 H23 0.9300 . ?
C24 C25 1.396(6) . ?
C25 C26 1.374(6) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C27 H271 0.9600 . ?
C27 H272 0.9600 . ?
C27 H273 0.9600 . ?
C28 H281 0.9600 . ?
C28 H282 0.9600 . ?
C28 H283 0.9600 . ?
Te2 C31 2.103(5) . ?
Te2 C41 2.118(4) . ?
N3 C34 1.358(6) . ?
N3 C37 1.430(6) . ?
N3 C38 1.454(7) . ?
N4 C44 1.366(5) . ?
N4 C47 1.431(6) . ?
N4 C48 1.441(6) . ?
C31 C32 1.385(6) . ?
C31 C36 1.391(7) . ?
C32 C33 1.365(6) . ?
C32 H32 0.9300 . ?
C33 C34 1.401(7) . ?
C33 H33 0.9300 . ?
C34 C35 1.412(6) . ?
C35 C36 1.379(6) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 H371 0.9600 . ?
C37 H372 0.9600 . ?
C37 H373 0.9600 . ?
C38 H381 0.9600 . ?
C38 H382 0.9600 . ?
C38 H383 0.9600 . ?
C41 C42 1.373(6) . ?
C41 C46 1.387(6) . ?
C42 C43 1.382(6) . ?
C42 H42 0.9300 . ?
C43 C44 1.383(6) . ?
C43 H43 0.9300 . ?
C44 C45 1.396(6) . ?
C45 C46 1.376(6) . ?
C45 H45 0.9300 . ?
C46 H46 0.9300 . ?
C47 H471 0.9600 . ?
C47 H472 0.9600 . ?
C47 H473 0.9600 . ?
C48 H481 0.9600 . ?
C48 H482 0.9600 . ?
C48 H483 0.9600 . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 8492393
