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#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278247 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/17/2001765.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_2001765
loop_
_publ_author_name
'Drake, J. E.'
'Bailey, J. H. E.'
'Singh, A. K.'
'Srivastava, V.'
_publ_section_title
;{Bis[2-(4-ethoxyphenyltelluro)ethyl]amino-N,Te,Te'}chloroplatinum(II)
 chloride trichloromethane monohydrate
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              684
_journal_page_last               687
_journal_paper_doi               10.1107/S0108270192005961
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C21 H30 Cl5 N O3 Pt Te2'
_chemical_formula_weight         972.2
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.10(3)
_cell_angle_beta                 102.22(5)
_cell_angle_gamma                106.85(4)
_cell_formula_units_Z            2
_cell_length_a                   10.590(7)
_cell_length_b                   17.606(6)
_cell_length_c                   8.493(3)
_cell_volume                     1477.8(13)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    7.218
_exptl_crystal_density_diffrn    2.18
_exptl_crystal_density_meas      2.20
_exptl_crystal_F_000             908
_cod_data_source_file            br1001.cif
_cod_data_source_block           br1001_structure_1_of_1
_cod_original_cell_volume        1478(3)
_cod_original_formula_sum        'C21 H30 Cl5 N1 O3 Pt1 Te2'
_cod_database_code               2001765
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pt .48391(7) .67752(4) .43593(7)
Te(1) .67720(10) .69534(6) .28970(10)
Te(2) .27900(10) .66579(6) .56020(10)
Cl(1) .6316(5) .7447(2) .6671(4)
Cl(2) .3158(5) .4960(3) .6681(5)
Cl(3) .0023(5) .3735(3) 1.2087(6)
Cl(4) .0430(5) .2535(3) 1.0139(7)
Cl(5) .1573(5) .4166(3) .9651(5)
O(1) .6760(10) 1.0334(6) .0550(10)
O(2) .1590(10) .9780(7) .2990(10)
O(3) .3690(10) .4617(6) .3250(10)
N .3560(10) .6162(6) .2300(10)
C(1) .402(2) .6385(8) .076(2)
C(2) .536(2) .6290(10) .080(2)
C(3) .2050(10) .6140(9) .206(2)
C(4) .151(2) .5890(10) .357(2)
C(5) .6800(10) .8108(8) .214(2)
C(6) .6830(10) .8300(10) .052(2)
C(7) .683(2) .9060(10) .009(2)
C(8) .6770(10) .9617(9) .117(2)
C(9) .673(2) .9434(8) .277(2)
C(10) .6720(10) .8693(8) .325(2)
C(11) .668(2) 1.0950(10) .154(2)
C(12) .675(2) 1.1670(10) .059(2)
C(13) .234(2) .7696(9) .467(2)
C(14) .329(2) .8310(10) .420(2)
C(15) .299(2) .8990(10) .367(2)
C(16) .177(2) .9070(10) .354(2)
C(17) .078(2) .8480(10) .404(2)
C(18) .109(2) .7780(10) .460(2)
C(19) .036(2) .9880(10) .274(2)
C(20) .040(2) 1.0690(10) .219(3)
C(21) .117(2) .3500(10) 1.109(2)
H(N) .3532 .5597 .2256
H(1A) .3385 .6053 -.0115
H(1B) .4057 .6925 .0592
H(2A) .5649 .6492 -.0147
H(2B) .5308 .5748 .0841
H(3A) .1969 .6652 .1818
H(3B) .1526 .5767 .1182
H(4A) .1501 .5359 .3756
H(4B) .0619 .5932 .3426
H(6) .6861 .7920 -.0250
H(7) .6873 .9194 -.0983
H(9) .6707 .9827 .3520
H(10) .6670 .8569 .4321
H(11A) .5844 1.0794 .1881
H(11B) .7407 1.1071 .2461
H(12A) .7570 1.1819 .0229
H(12B) .6004 1.1553 -.0318
H(12C) .6711 1.2096 .1249
H(14) .4165 .8266 .4242
H(15) .3681 .9409 .3393
H(17) -.0093 .8534 .4014
H(18) .0424 .7361 .4924
H(19A) -.0249 .9492 .1937
H(19B) .0052 .9820 .3718
H(20A) .0993 1.1077 .2991
H(20B) .0707 1.0752 .1211
H(20C) -.0486 1.0745 .2008
H(21) .1973 .3511 1.1863
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
Te(1) Pt Te(2) 174.55(4)
Te(1) Pt Cl(1) 91.40(10)
Te(1) Pt N 87.7(3)
Pt Te(1) C(2) 89.8(4)
Pt Te(1) C(5) 96.0(4)
C(2) Te(1) C(5) 96.8(5)
Te(1) C(2) C(1) 109.0(10)
N C(1) C(2) 112.0(10)
Te(1) C(5) C(6) 121.0(10)
Te(1) C(5) C(10) 120.0(10)
Cl(1) Pt N 178.6(3)
Te(2) Pt Cl(1) 91.70(10)
Te(2) Pt N 89.2(3)
Pt Te(2) C(4) 89.8(4)
Pt Te(2) C(13) 97.0(4)
C(4) Te(2) C(13) 94.1(6)
Te(2) C(4) C(3) 109.0(10)
N C(3) C(4) 111.0(10)
Te(2) C(13) C(14) 123.0(10)
Te(2) C(13) C(18) 119.0(10)
C(6) C(5) C(10) 119.0(10)
C(5) C(6) C(7) 119.0(10)
C(6) C(7) C(8) 122.0(10)
C(7) C(8) C(9) 120.0(10)
C(8) C(9) C(10) 120.0(10)
C(9) C(10) C(5) 120.0(10)
C(8) O(1) C(11) 120.0(10)
O(1) C(11) C(12) 108(2)
C(1) N C(3) 109.0(10)
C(1) N H(N) 98
C(14) C(13) C(18) 118.0(10)
C(13) C(14) C(15) 121(2)
C(14) C(15) C(16) 122(2)
C(15) C(16) C(17) 119(2)
C(16) C(17) C(18) 118.0(10)
C(17) C(18) C(13) 121(2)
C(16) O(2) C(19) 119.0(10)
O(2) C(19) C(20) 111(2)
C(3) N H(N) 105
Pt N H(N) 112
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Pt Te(1) 2.557(2)
Pt Te(2) 2.564(2)
Pt Cl(1) 2.306(4)
Te(1) C(2) 2.15(2)
Te(1) C(5) 2.130(10)
N C(1) 1.51(2)
C(1) C(2) 1.46(2)
C(5) C(6) 1.42(2)
C(5) C(10) 1.42(2)
C(6) C(7) 1.38(2)
C(7) C(8) 1.37(2)
C(8) C(9) 1.40(2)
C(9) C(10) 1.37(2)
C(11) C(12) 1.50(2)
O(1) C(8) 1.37(2)
O(1) C(11) 1.41(2)
N H(N) 1.00(10)
C(21) Cl(4) 1.760(10)
Pt N 2.050(10)
Te(2) C(4) 2.14(2)
Te(2) C(13) 2.130(10)
N C(3) 1.55(2)
C(3) C(4) 1.53(2)
C(13) C(14) 1.36(2)
C(13) C(18) 1.36(2)
C(14) C(15) 1.37(2)
C(15) C(16) 1.33(2)
C(16) C(17) 1.40(2)
C(17) C(18) 1.42(2)
C(19) C(20) 1.49(2)
O(2) C(16) 1.38(2)
O(2) C(19) 1.35(2)
C(21) Cl(3) 1.76(2)
C(21) Cl(5) 1.73(2)
