Crystallography Open Database

Information card for entry 4085736

Preview

Coordinates	4085736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H124 O2 Sb4 Si16
Calculated formula	C44 H124 O2 Sb4 Si16
SMILES	[Sb]1([Sb]([Sb]([Sb]1[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.C1CCCO1.C1CCCO1
Title of publication	Oligosilanylated Antimony Compounds.
Authors of publication	Zitz, Rainer; Gatterer, Karl; Reinhold, Crispin R. W.; Müller, Thomas; Baumgartner, Judith; Marschner, Christoph
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	8
Pages of publication	1419 - 1430
a	25.575 ± 0.007 Å
b	13.754 ± 0.004 Å
c	25.247 ± 0.007 Å
α	90°
β	114.197 ± 0.004°
γ	90°
Cell volume	8101 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0723
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1284
Weighted residual factors for all reflections included in the refinement	0.1354
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4085736.cif
140248	2015-07-05	cif/ Updating files of 4085733, 4085734, 4085735, 4085736, 4085737, 4085738, 4085739 Original log message: Adding full bibliography for 4085733--4085739.cif.	4085736.cif
138307	2015-06-05	cif/ Updating files of 4085733, 4085734, 4085735, 4085736, 4085737, 4085738, 4085739 Original log message: Adding full bibliography for 4085733--4085739.cif.	4085736.cif
136343	2015-05-13	cif/ Adding structures of 4085733, 4085734, 4085735, 4085736, 4085737, 4085738, 4085739 via cif-deposit CGI script.	4085736.cif