Crystallography Open Database

Information card for entry 4084533

Preview

Coordinates	4084533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 Fe N4 O2 Si2
Calculated formula	C20 H28 Fe N4 O2 Si2
SMILES	[Fe]1([Si](c2ccccc2[Si]1(C)C)(C)C)([n]1n(ccc1)C)([n]1n(ccc1)C)(C#[O])C#[O]
Title of publication	Disilaferracycle Dicarbonyl Complex Containing Weakly Coordinated η2-(H-Si) Ligands: Application to C‒H Functionalization of Indoles and Arenes
Authors of publication	Sunada, Yusuke; Soejima, Hiroe; Nagashima, Hideo
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	21
Pages of publication	5936
a	8.7016 ± 0.0015 Å
b	16.87 ± 0.003 Å
c	15.72 ± 0.003 Å
α	90°
β	93.338 ± 0.003°
γ	90°
Cell volume	2303.7 ± 0.7 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 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 significantly intense reflections	0.036
Weighted residual factors for all reflections included in the refinement	0.0967
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178734 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/45.	4084533.cif
127190	2014-11-12	cif/ Updating files of 4084533, 4084534, 4084535 Original log message: Adding full bibliography for 4084533--4084535.cif.	4084533.cif
125640	2014-10-21	cif/ Adding structures of 4084533, 4084534, 4084535 via cif-deposit CGI script.	4084533.cif