Crystallography Open Database

Information card for entry 7013301

Preview

Coordinates	7013301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 Br N2 Sb
Calculated formula	C18 H24 Br N2 Sb
SMILES	[Sb]1(Br)([N](Cc2c1cccc2)(C)C)c1ccccc1CN(C)C
Title of publication	Solid-state structure and solution behaviour of hypervalent organoantimony halides containing 2-(Me2NCH2)C6H4? moieties
Authors of publication	Opris, Laura M.; Silvestru, Anca; Silvestru, Cristian; Breunig, Hans J.; Lork, Enno
Journal of publication	Dalton Transactions
Year of publication	2003
Journal issue	22
Pages of publication	4367
a	9.762 ± 0.002 Å
b	12.89 ± 0.003 Å
c	16.109 ± 0.003 Å
α	93.11 ± 0.03°
β	91.45 ± 0.03°
γ	110.24 ± 0.03°
Cell volume	1897 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0382
Residual factor for significantly intense reflections	0.0227
Weighted residual factors for significantly intense reflections	0.0525
Weighted residual factors for all reflections included in the refinement	0.0566
Goodness-of-fit parameter for all reflections included in the refinement	0.922
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
213973 (current)	2019-03-05	cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries.	7013301.cif
179837	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/33.	7013301.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7013301.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7013301.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7013301.cif