Crystallography Open Database

Information card for entry 4118011

Preview

Coordinates	4118011.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CpZr[C5H4SiMe2NSiHMe2][N(SiHMe2)Bu]
Formula	C20 H38 N2 Si3 Zr
Calculated formula	C20 H38 N2 Si3 Zr
SMILES	[Zr]123456789(N([Si](C)(C)[c]%102[cH]1[cH]5[cH]4[cH]3%10)[SiH](C)C)(N([SiH](C)C)C(C)(C)C)[cH]1[cH]6[cH]7[cH]8[cH]91
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	16.8361 ± 0.0015 Å
b	8.5923 ± 0.0008 Å
c	17.1866 ± 0.0016 Å
α	90°
β	100.354 ± 0.001°
γ	90°
Cell volume	2445.7 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0486
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0711
Weighted residual factors for all reflections included in the refinement	0.0832
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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.	4118011.cif
75156	2013-03-08	cif/ Adding structures of 4118011 via cif-deposit CGI script.	4118011.cif