Crystallography Open Database

Information card for entry 4113099

Preview

Coordinates	4113099.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	15.376 ± 0.003 Å
b	11.174 ± 0.002 Å
c	18.51 ± 0.003 Å
α	90°
β	100.535 ± 0.002°
γ	90°
Cell volume	3126.6 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0403
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.1105
Weighted residual factors for all reflections included in the refinement	0.1184
Goodness-of-fit parameter for all reflections included in the refinement	0.919
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
178901 (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 4/11/30.	4113099.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113099.cif
65519	2012-09-05	cif/ Adding structures of 4113099 via cif-deposit CGI script.	4113099.cif