Crystallography Open Database

Information card for entry 4113100

Preview

Coordinates	4113100.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H42 Cl2 Fe O4 Si4
Calculated formula	C22 H42 Cl2 Fe O4 Si4
SMILES	[Fe]1([Si](Cl)([Si]1(Cl)[Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Iron Complexes of (E)- and (Z)-1,2-Dichlorodisilenes
Authors of publication	Hisako Hashimoto; Katsunori Suzuki; Wataru Setaka; Chizuko Kabuto; Mitsuo Kira
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	13628 - 13629
a	14.774 ± 0.004 Å
b	15.521 ± 0.005 Å
c	27.909 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	6400 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1744
Residual factor for significantly intense reflections	0.1494
Weighted residual factors for significantly intense reflections	0.3007
Weighted residual factors for all reflections included in the refinement	0.3165
Goodness-of-fit parameter for all reflections included in the refinement	1.178
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178902 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/31.	4113100.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113100.cif
65521	2012-09-05	cif/ Adding structures of 4113100 via cif-deposit CGI script.	4113100.cif