Crystallography Open Database

Information card for entry 4313318

Preview

Coordinates	4313318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H31 Cl N Sb Si2
Calculated formula	C16 H31 Cl N Sb Si2
SMILES	[Sb]1(Cl)([N](Cc2c1cccc2)(C)C)C([Si](C)(C)C)[Si](C)(C)C
Title of publication	Syntheses, Structures, and Dynamic Behavior of Chiral Racemic Organoantimony and -bismuth Compounds RR'SbCl, RR'BiCl, and RR'SbM [R = 2-(Me2NCH2)C6H4, R' = CH(Me3Si)2, M = H, Li, Na]
Authors of publication	Hans J. Breunig; Ioan Ghesner; Mihaiela E. Ghesner; Enno Lork
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	1751 - 1757
a	7.243 ± 0.004 Å
b	10.373 ± 0.003 Å
c	15.396 ± 0.005 Å
α	79.88°
β	78.27°
γ	71.48 ± 0.01°
Cell volume	1066.2 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1197
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.1076
Weighted residual factors for all reflections included in the refinement	0.1275
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179191 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/33.	4313318.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313318.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313318.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4313318.cif
6387	2011-01-11	../uploads/cif-deposit/cod/cif Adding structures of 4313318 via cif-deposit CGI script.	4313318.cif