Crystallography Open Database

Information card for entry 7009220

Preview

Coordinates	7009220.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H21 Cl2 Fe O2 Sb
Calculated formula	C15 H21 Cl2 Fe O2 Sb
SMILES	[Sb]([Fe]1234(C#[O])(C#[O])[cH]5[c]4([cH]3[cH]2[c]15C(C)(C)C)C(C)(C)C)(Cl)Cl
Title of publication	Structure and reactivity of transition metal substituted dichloroantimony and dichlorobismuth complexes †
Authors of publication	Gröer, Thomas; Scheer, Manfred
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	5
Pages of publication	647
a	11.919 ± 0.002 Å
b	10.089 ± 0.002 Å
c	15.006 ± 0.003 Å
α	90°
β	94.68 ± 0.03°
γ	90°
Cell volume	1798.5 ± 0.6 Å³
Cell temperature	200 ± 1 K
Ambient diffraction temperature	200 ± 1 K
Number of distinct elements	6
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	0.2047
Residual factor for significantly intense reflections	0.0716
Weighted residual factors for significantly intense reflections	0.117
Weighted residual factors for all reflections included in the refinement	0.1613
Goodness-of-fit parameter for all reflections included in the refinement	0.892
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
179796 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/92.	7009220.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009220.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009220.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009220.cif