Crystallography Open Database

Information card for entry 4107607

Preview

Coordinates	4107607.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H27 Cl2 Fe P Si
Calculated formula	C13 H27 Cl2 Fe P Si
SMILES	[FeH2]1234([Si](Cl)(Cl)C)([P](C)(C(C)C)C(C)C)[cH]5[cH]1[cH]2[cH]3[cH]45
Title of publication	Cp(Pri2MeP)FeH2SiR3: Nonclassical Iron Silyl Dihydride
Authors of publication	Dmitry V. Gutsulyak; Lyudmila G. Kuzmina; Judith A. K. Howard; Sergei F. Vyboishchikov; Georgii I. Nikonov
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	3732 - 3733
a	11.6589 ± 0.0003 Å
b	12.7671 ± 0.0003 Å
c	12.0791 ± 0.0004 Å
α	90°
β	94.963 ± 0.001°
γ	90°
Cell volume	1791.24 ± 0.09 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
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	0.055
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0704
Weighted residual factors for all reflections included in the refinement	0.0754
Goodness-of-fit parameter for all reflections included in the refinement	0.977
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
178822 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/76.	4107607.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107607.cif
55293	2012-05-04	cif/ Adding structures of 4107607 via cif-deposit CGI script.	4107607.cif