Crystallography Open Database

Information card for entry 7117927

Preview

Coordinates	7117927.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H38 Fe2 O6 P2 Si2
Calculated formula	C20 H38 Fe2 O6 P2 Si2
SMILES	C(C)[Si]1(CC)[Fe]([P](C)(C)C)(C#[O])(C#[O])(C#[O])[Si](CC)(CC)[Fe]1([P](C)(C)C)(C#[O])(C#[O])C#[O]
Title of publication	1,2-Halosilane vs. 1,2-alkylborane elimination from (boryl)(silyl) complexes of iron: switching between borylenes and silylenes just by changing the alkyl group
Authors of publication	Holger Braunschweig; Rian D. Dewhurst; Krzysztof Radacki; Benedikt Wennemann; Qing Ye
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	15465
a	10.1597 ± 0.0016 Å
b	12.9 ± 0.002 Å
c	10.7901 ± 0.0018 Å
α	90°
β	105.385 ± 0.005°
γ	90°
Cell volume	1363.5 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0292
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.0634
Weighted residual factors for all reflections included in the refinement	0.066
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
165894 (current)	2015-10-12	cif/ Adding structures of 7117926, 7117927, 7117928 via cif-deposit CGI script.	7117927.cif