Crystallography Open Database

Information card for entry 4069190

Preview

Coordinates	4069190.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Zirconium bis(trimethyl)silyl amide chloride
Chemical name	Zirconium bis(trimethyl)silyl amide chloride
Formula	C14 H34 Cl3 N O2 Si2 Zr
Calculated formula	C14 H34 Cl3 N O2 Si2 Zr
SMILES	C[Si](C)(C)N([Si](C)(C)C)[Zr](Cl)(Cl)(Cl)([O]1CCCC1)[O]1CCCC1
Title of publication	Synthesis and Characterization of Group 4 Amide Chloride and Amide Imide Complexes
Authors of publication	Yu, Xianghua; Chen, Shu-Jian; Wang, Xiaoping; Chen, Xue-Tai; Xue, Zi-Ling
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	15
Pages of publication	4269
a	8.912 ± 0.005 Å
b	13.396 ± 0.008 Å
c	19.466 ± 0.012 Å
α	90°
β	90°
γ	90°
Cell volume	2324 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0427
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.0965
Goodness-of-fit parameter for all reflections included in the refinement	0.844
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
178580 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/91.	4069190.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069190.cif
40175	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069190 via cif-deposit CGI script.	4069190.cif