Crystallography Open Database

Information card for entry 4069184

Preview

Coordinates	4069184.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Zirconium amide chloride
Chemical name	Zirconium trimethylsily amide chloride Lithium THF
Formula	C192 H480 Cl24 Li8 N16 O24 Si32 Zr8
Calculated formula	C24 H60 Cl3 Li N2 O3 Si4 Zr
SMILES	C[Si](C)(C)N([Si](C)(C)C)[Zr]([Cl][Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)(Cl)(Cl)N([Si](C)(C)C)[Si](C)(C)C
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	13.333 ± 0.004 Å
b	31.207 ± 0.009 Å
c	18.995 ± 0.005 Å
α	90°
β	90.708 ± 0.005°
γ	90°
Cell volume	7903 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
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	0.1533
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1029
Weighted residual factors for all reflections included in the refinement	0.1437
Goodness-of-fit parameter for all reflections included in the refinement	0.98
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.	4069184.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069184.cif
40169	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069184 via cif-deposit CGI script.	4069184.cif