Crystallography Open Database

Information card for entry 4069186

Preview

Coordinates	4069186.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Zirconium bis(trimethylsilyl)amide chloride THF
Chemical name	Zirconium bis(trimethylsilyl)amide chloride THF
Formula	C16 H44 Cl2 N2 O Si4 Zr
Calculated formula	C16 H44 Cl2 N2 O Si4 Zr
SMILES	C[Si](C)(C)N([Si](C)(C)C)[Zr](Cl)(Cl)(N([Si](C)(C)C)[Si](C)(C)C)[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	15.943 ± 0.006 Å
b	25.876 ± 0.01 Å
c	13.86 ± 0.005 Å
α	90°
β	93.42 ± 0.007°
γ	90°
Cell volume	5708 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0562
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0896
Weighted residual factors for all reflections included in the refinement	0.1197
Goodness-of-fit parameter for all reflections included in the refinement	0.738
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.	4069186.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069186.cif
40171	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069186 via cif-deposit CGI script.	4069186.cif