#------------------------------------------------------------------------------
#$Date: 2016-03-26 01:30:19 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180104 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/02/7100270.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_7100270
loop_
_publ_author_name
'Neil Burford'
'Ezra Edelstein'
'Michael J. Ferguson'
'Jeff C. Landry'
'Robert McDonald'
_publ_section_title
;
Identification of new N-Sb topologies: Understanding
the sequential dehydrochloride coupling of primary amines and
trichloropnictines
;
_journal_issue                   40
_journal_name_full               'Chemical Communications'
_journal_page_first              5074
_journal_page_last               5076
_journal_paper_doi               10.1039/b509481j
_journal_year                    2005
_chemical_formula_moiety         'C16 H19 Cl3 N2 Sb2'
_chemical_formula_sum            'C16 H19 Cl3 N2 Sb2'
_chemical_formula_weight         589.18
_chemical_melting_point          283
_chemical_name_common            Cl2SbN(Dmp)Sb(Cl)N(H)Dmp
_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'
_cell_angle_alpha                90.00
_cell_angle_beta                 108.9580(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.0005(9)
_cell_length_b                   20.8528(14)
_cell_length_c                   15.5863(10)
_cell_measurement_temperature    193(2)
_cell_volume                     3996.2(5)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.959
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7100270
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
Sb1A Sb 0.216900(14) 0.277260(8) 0.251576(12) 0.02771(5) Uani 1 1 d . . .
Sb2A Sb 0.402582(14) 0.227932(8) 0.156559(12) 0.02752(5) Uani 1 1 d . . .
Cl1A Cl 0.31773(6) 0.26456(4) 0.41035(5) 0.03887(16) Uani 1 1 d . . .
Cl2A Cl 0.54611(5) 0.21776(4) 0.30127(5) 0.03655(15) Uani 1 1 d . . .
Cl3A Cl 0.42512(6) 0.11660(3) 0.11571(5) 0.03762(15) Uani 1 1 d . . .
N1A N 0.35478(18) 0.32276(10) 0.23652(15) 0.0284(5) Uani 1 1 d . . .
H1NA H 0.4062 0.3227 0.2942 0.034 Uiso 1 1 calc R . .
N2A N 0.27659(17) 0.20227(10) 0.20026(15) 0.0268(4) Uani 1 1 d . . .
C11A C 0.3613(2) 0.38564(12) 0.20090(18) 0.0295(5) Uani 1 1 d . . .
C12A C 0.4433(2) 0.42763(13) 0.25097(19) 0.0329(6) Uani 1 1 d . . .
C13A C 0.4573(3) 0.48530(14) 0.2118(2) 0.0419(7) Uani 1 1 d . . .
H13A H 0.5131 0.5137 0.2449 0.050 Uiso 1 1 calc R . .
C14A C 0.3919(3) 0.50228(14) 0.1259(2) 0.0448(7) Uani 1 1 d . . .
H14A H 0.4040 0.5413 0.0993 0.054 Uiso 1 1 calc R . .
C15A C 0.3087(3) 0.46170(15) 0.0791(2) 0.0437(7) Uani 1 1 d . . .
H15A H 0.2618 0.4741 0.0208 0.052 Uiso 1 1 calc R . .
C16A C 0.2916(2) 0.40295(13) 0.1150(2) 0.0358(6) Uani 1 1 d . . .
C17A C 0.5167(3) 0.41039(15) 0.3453(2) 0.0454(8) Uani 1 1 d . . .
H17A H 0.4724 0.4005 0.3838 0.055 Uiso 1 1 calc R . .
H17B H 0.5648 0.4466 0.3712 0.055 Uiso 1 1 calc R . .
H17C H 0.5607 0.3729 0.3420 0.055 Uiso 1 1 calc R . .
C18A C 0.1989(3) 0.36089(16) 0.0613(2) 0.0504(9) Uani 1 1 d . . .
H18A H 0.1722 0.3757 -0.0018 0.061 Uiso 1 1 calc R . .
H18B H 0.1400 0.3631 0.0876 0.061 Uiso 1 1 calc R . .
H18C H 0.2243 0.3165 0.0632 0.061 Uiso 1 1 calc R . .
C21A C 0.2205(2) 0.14162(13) 0.1818(2) 0.0324(6) Uani 1 1 d . . .
C22A C 0.2487(3) 0.09253(14) 0.2470(2) 0.0410(7) Uani 1 1 d . . .
C23A C 0.1913(3) 0.03460(16) 0.2267(3) 0.0564(10) Uani 1 1 d . . .
H23A H 0.2084 0.0009 0.2701 0.068 Uiso 1 1 calc R . .
C24A C 0.1102(4) 0.02554(18) 0.1447(3) 0.0647(11) Uani 1 1 d . . .
H24A H 0.0723 -0.0141 0.1320 0.078 Uiso 1 1 calc R . .
C25A C 0.0844(3) 0.07388(18) 0.0813(3) 0.0555(10) Uani 1 1 d . . .
H25A H 0.0288 0.0671 0.0249 0.067 Uiso 1 1 calc R . .
C26A C 0.1384(2) 0.13283(15) 0.0984(2) 0.0383(7) Uani 1 1 d . . .
C27A C 0.3364(3) 0.10100(16) 0.3369(2) 0.0530(9) Uani 1 1 d . . .
H27A H 0.4022 0.1177 0.3271 0.064 Uiso 1 1 calc R . .
H27B H 0.3525 0.0595 0.3680 0.064 Uiso 1 1 calc R . .
H27C H 0.3117 0.1313 0.3741 0.064 Uiso 1 1 calc R . .
C28A C 0.1089(3) 0.18425(16) 0.0277(2) 0.0438(7) Uani 1 1 d . . .
H28A H 0.0471 0.1700 -0.0239 0.053 Uiso 1 1 calc R . .
H28B H 0.1712 0.1931 0.0072 0.053 Uiso 1 1 calc R . .
H28C H 0.0890 0.2233 0.0535 0.053 Uiso 1 1 calc R . .
Sb1B Sb -0.284582(14) 0.119961(8) 0.268364(12) 0.02835(5) Uani 1 1 d . . .
Sb2B Sb -0.093106(14) 0.162714(9) 0.177224(13) 0.03065(5) Uani 1 1 d . . .
Cl1B Cl -0.19711(7) 0.14112(4) 0.42545(5) 0.04618(18) Uani 1 1 d . . .
Cl2B Cl 0.05122(6) 0.18367(4) 0.31876(5) 0.04210(17) Uani 1 1 d . . .
Cl3B Cl -0.07222(6) 0.26965(3) 0.12278(5) 0.03940(16) Uani 1 1 d . . .
N1B N -0.14008(18) 0.07601(11) 0.26559(16) 0.0327(5) Uani 1 1 d . . .
H1NB H -0.0916 0.0805 0.3241 0.039 Uiso 1 1 calc R . .
N2B N -0.22383(17) 0.19238(10) 0.21214(15) 0.0281(5) Uani 1 1 d . . .
C11B C -0.1248(2) 0.01157(12) 0.23946(19) 0.0314(6) Uani 1 1 d . . .
C12B C -0.0365(2) -0.02358(14) 0.2959(2) 0.0380(6) Uani 1 1 d . . .
C13B C -0.0144(3) -0.08287(14) 0.2668(2) 0.0460(8) Uani 1 1 d . . .
H13B H 0.0461 -0.1067 0.3037 0.055 Uiso 1 1 calc R . .
C14B C -0.0785(3) -0.10823(14) 0.1850(2) 0.0479(8) Uani 1 1 d . . .
H14B H -0.0620 -0.1491 0.1659 0.057 Uiso 1 1 calc R . .
C15B C -0.1662(3) -0.07415(14) 0.1313(2) 0.0433(7) Uani 1 1 d . . .
H15B H -0.2106 -0.0921 0.0756 0.052 Uiso 1 1 calc R . .
C16B C -0.1914(2) -0.01374(13) 0.1570(2) 0.0369(6) Uani 1 1 d . . .
C17B C 0.0355(3) 0.00300(17) 0.3847(2) 0.0532(9) Uani 1 1 d . . .
H17D H 0.0866 -0.0302 0.4175 0.064 Uiso 1 1 calc R . .
H17E H -0.0092 0.0168 0.4212 0.064 Uiso 1 1 calc R . .
H17F H 0.0762 0.0398 0.3733 0.064 Uiso 1 1 calc R . .
C18B C -0.2893(3) 0.02152(16) 0.0951(2) 0.0526(9) Uani 1 1 d . . .
H18D H -0.3150 -0.0001 0.0362 0.063 Uiso 1 1 calc R . .
H18E H -0.2688 0.0657 0.0867 0.063 Uiso 1 1 calc R . .
H18F H -0.3474 0.0218 0.1224 0.063 Uiso 1 1 calc R . .
C21B C -0.2797(2) 0.25190(13) 0.18166(19) 0.0297(5) Uani 1 1 d . . .
C22B C -0.2605(2) 0.30463(14) 0.2406(2) 0.0362(6) Uani 1 1 d . . .
C23B C -0.3176(3) 0.36168(15) 0.2081(3) 0.0475(8) Uani 1 1 d . . .
H23B H -0.3057 0.3981 0.2467 0.057 Uiso 1 1 calc R . .
C24B C -0.3903(3) 0.36588(16) 0.1212(3) 0.0522(9) Uani 1 1 d . . .
H24B H -0.4291 0.4046 0.1012 0.063 Uiso 1 1 calc R . .
C25B C -0.4068(3) 0.31440(15) 0.0637(2) 0.0450(7) Uani 1 1 d . . .
H25B H -0.4562 0.3179 0.0036 0.054 Uiso 1 1 calc R . .
C26B C -0.3515(2) 0.25672(14) 0.0928(2) 0.0334(6) Uani 1 1 d . . .
C27B C -0.1819(3) 0.30106(16) 0.3353(2) 0.0475(8) Uani 1 1 d . . .
H27D H -0.1151 0.2796 0.3345 0.057 Uiso 1 1 calc R . .
H27E H -0.2146 0.2767 0.3737 0.057 Uiso 1 1 calc R . .
H27F H -0.1645 0.3445 0.3597 0.057 Uiso 1 1 calc R . .
C28B C -0.3689(3) 0.20223(15) 0.0268(2) 0.0411(7) Uani 1 1 d . . .
H28D H -0.3881 0.1635 0.0537 0.049 Uiso 1 1 calc R . .
H28E H -0.3020 0.1946 0.0123 0.049 Uiso 1 1 calc R . .
H28F H -0.4280 0.2130 -0.0289 0.049 Uiso 1 1 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
Sb1A N2A 2.023(2) . ?
Sb1A N1A 2.108(2) . ?
Sb1A Cl1A 2.4094(7) . ?
Sb2A N2A 2.039(2) . ?
Sb2A Cl2A 2.4247(7) . ?
Sb2A Cl3A 2.4499(7) . ?
Sb2A N1A 2.521(2) . ?
N1A C11A 1.437(3) . ?
N2A C21A 1.442(3) . ?
C11A C16A 1.399(4) . ?
C11A C12A 1.404(4) . ?
C12A C13A 1.387(4) . ?
C12A C17A 1.513(4) . ?
C13A C14A 1.378(5) . ?
C14A C15A 1.381(5) . ?
C15A C16A 1.395(4) . ?
C16A C18A 1.505(4) . ?
C21A C26A 1.401(4) . ?
C21A C22A 1.404(4) . ?
C22A C23A 1.401(5) . ?
C22A C27A 1.502(5) . ?
C23A C24A 1.380(6) . ?
C24A C25A 1.375(6) . ?
C25A C26A 1.398(4) . ?
C26A C28A 1.495(5) . ?
Sb1B N2B 2.030(2) . ?
Sb1B N1B 2.103(2) . ?
Sb1B Cl1B 2.3819(8) . ?
Sb2B N2B 2.042(2) . ?
Sb2B Cl2B 2.4266(8) . ?
Sb2B Cl3B 2.4323(7) . ?
Sb2B N1B 2.467(2) . ?
N1B C11B 1.436(3) . ?
N2B C21B 1.439(3) . ?
C11B C16B 1.399(4) . ?
C11B C12B 1.405(4) . ?
C12B C13B 1.379(4) . ?
C12B C17B 1.502(5) . ?
C13B C14B 1.382(5) . ?
C14B C15B 1.373(5) . ?
C15B C16B 1.393(4) . ?
C16B C18B 1.514(4) . ?
C21B C26B 1.399(4) . ?
C21B C22B 1.403(4) . ?
C22B C23B 1.406(4) . ?
C22B C27B 1.500(5) . ?
C23B C24B 1.379(5) . ?
C24B C25B 1.370(5) . ?
C25B C26B 1.399(4) . ?
C26B C28B 1.500(4) . ?
