Crystallography Open Database

Information card for entry 4118010

Preview

Coordinates	4118010.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cp2Zr[N(SiHMe2)2]H
Chemical name	bis(cyclopentadienyl)hydrido[(t-butyl)dimethylsilylamido]zirconium
Formula	C14 H25 N Si2 Zr
Calculated formula	C14 H25 N Si2 Zr
SMILES	[ZrH]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)([cH]1[cH]5[cH]6[cH]7[cH]81)N([SiH](C)C)[SiH](C)C
Title of publication	Nonclassical β-Hydrogen Elimination of Hydrosilazido Zirconium Compounds via Direct Hydrogen Transfer
Authors of publication	KaKing Yan; Arkady Ellern; Aaron D. Sadow
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	9154 - 9156
a	8.2232 ± 0.0002 Å
b	13.1668 ± 0.0005 Å
c	15.849 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1716.02 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0301
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0737
Weighted residual factors for all reflections included in the refinement	0.0748
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
178951 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/80.	4118010.cif
75155	2013-03-08	cif/ Adding structures of 4118010 via cif-deposit CGI script.	4118010.cif