Crystallography Open Database

Information card for entry 4108964

Preview

Coordinates	4108964.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H43 Fe O P Si
Calculated formula	C25 H43 Fe O P Si
SMILES	[Fe]12345([P]([Si]1(C)C)(C1CCCCC1)C1CCCCC1)(C#[O])[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
Title of publication	Recombination of an Fe-Si-P Linkage to an Fe-P-Si Linkage through an Isolable Intermediate Phosphasilaferracyclopropane
Authors of publication	Masaaki Okazaki; Takahiko Yoshitomi; Junpei Naito; Akira Sato; Takashi Komuro; Hiromi Tobita
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	17674 - 17675
a	14.7697 ± 0.0004 Å
b	15.3225 ± 0.0005 Å
c	11.5537 ± 0.0004 Å
α	90°
β	98.5242 ± 0.0007°
γ	90°
Cell volume	2585.82 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0392
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0852
Weighted residual factors for all reflections included in the refinement	0.0932
Goodness-of-fit parameter for all reflections included in the refinement	1.244
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178835 (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 4/10/89.	4108964.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108964.cif
57473	2012-05-18	cif/ Adding structures of 4108964 via cif-deposit CGI script.	4108964.cif