Crystallography Open Database

Information card for entry 4336359

Preview

Coordinates	4336359.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H38 Fe N4 O4 Si
Calculated formula	C30 H38 Fe N4 O4 Si
SMILES	[Fe]([Si]12([N](=C(N1C(C)C)c1ccccc1)C(C)C)[N](=C(N2C(C)C)c1ccccc1)C(C)C)(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Five-Coordinate Silicon(II) Compounds with Si-M Bonds (M = Cr, Mo, W, Fe): Bis[N,N'-diisopropylbenzamidinato(-)]silicon(II) as a Ligand in Transition-Metal Complexes
Authors of publication	Konstantin Junold; Johannes A. Baus; Christian Burschka; Thomas Vent-Schmidt; Sebastian Riedel; Reinhold Tacke
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	11593 - 11599
a	9.8895 ± 0.0013 Å
b	21.702 ± 0.003 Å
c	14.547 ± 0.002 Å
α	90°
β	99.006 ± 0.016°
γ	90°
Cell volume	3083.6 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0394
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0908
Weighted residual factors for all reflections included in the refinement	0.0938
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
179466 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/63.	4336359.cif
102337	2014-02-19	cif/ Adding structures of 4336359 via cif-deposit CGI script.	4336359.cif