Crystallography Open Database

Information card for entry 4074246

Preview

Coordinates	4074246.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H25 Cl2 O2 Sb
Calculated formula	C16 H25 Cl2 O2 Sb
SMILES	[Sb](Cl)(Cl)c1c(cccc1COC(C)(C)C)COC(C)(C)C
Title of publication	Structural Diversity of Organoantimony(III) and Organobismuth(III) Dihalides Containing O,C,O-Chelating Ligands
Authors of publication	Dostál, Libor; Císařová, Ivana; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	18
Pages of publication	4366
a	10.632 ± 0.0002 Å
b	12.346 ± 0.0002 Å
c	14.875 ± 0.0003 Å
α	90°
β	102.15 ± 0.0011°
γ	90°
Cell volume	1908.8 ± 0.06 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0266
Residual factor for significantly intense reflections	0.0226
Weighted residual factors for significantly intense reflections	0.0531
Weighted residual factors for all reflections included in the refinement	0.0551
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
178631 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/42.	4074246.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074246.cif
48266	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4074245, 4074246, 4074247, 4074248, 4074249, 4074250, 4074251, 4074252 via cif-deposit CGI script.	4074246.cif