Crystallography Open Database

Information card for entry 4336361

Preview

Coordinates	4336361.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H38 Mo N4 O5 Si
Calculated formula	C31 H38 Mo N4 O5 Si
SMILES	[Mo]([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])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	10.7945 ± 0.0015 Å
b	19.703 ± 0.003 Å
c	16.706 ± 0.002 Å
α	90°
β	106.977 ± 0.016°
γ	90°
Cell volume	3398.3 ± 0.9 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0357
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0797
Weighted residual factors for all reflections included in the refinement	0.0825
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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.	4336361.cif
102339	2014-02-19	cif/ Adding structures of 4336361 via cif-deposit CGI script.	4336361.cif