Crystallography Open Database

Information card for entry 7009219

Preview

Coordinates	7009219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H31 Fe3 O5 Sb
Calculated formula	C28 H31 Fe3 O5 Sb
SMILES	[Sb]1([Fe]2345(C#[O])(C#[O])[cH]6[c]2([cH]3[cH]4[c]56C(C)(C)C)C(C)(C)C)[Fe]23456([Fe]789%101(C#[O])(C2=O)[cH]1[cH]%10[cH]9[cH]8[cH]71)(C#[O])[cH]1[cH]3[cH]4[cH]5[cH]61
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	6.9597 ± 0.0014 Å
b	13.363 ± 0.003 Å
c	15.702 ± 0.003 Å
α	73.79 ± 0.03°
β	89.82 ± 0.03°
γ	88.65 ± 0.03°
Cell volume	1401.9 ± 0.5 Å³
Cell temperature	200 ± 1 K
Ambient diffraction temperature	200 ± 1 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	0.0479
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0823
Weighted residual factors for all reflections included in the refinement	0.1027
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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.	7009219.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009219.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009219.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009219.cif