Crystallography Open Database

Information card for entry 7010168

Preview

Coordinates	7010168.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[{C6H4(NSiMe3)2}ZrCl2(Me2NCH2CH2NMe2)]
Formula	C18 H38 Cl2 N4 Si2 Zr
Calculated formula	C18 H38 Cl2 N4 Si2 Zr
SMILES	[Zr]12(Cl)(Cl)(N([Si](C)(C)C)c3c(N1[Si](C)(C)C)cccc3)[N](CC[N]2(C)C)(C)C
Title of publication	Synthesis, structures and catalytic properties of chelating N,N '-bis(silylated) 1,2-benzenediamidozirconium(IV) chlorides [and a titanium(IV) analogue] and dimethylamides †
Authors of publication	Danièle, Stephane; Hitchcock, Peter B.; Lappert, Michael F.; Merle, Philippe G.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2001
Journal issue	1
Pages of publication	13
a	30.39 ± 0.02 Å
b	18.203 ± 0.005 Å
c	14.315 ± 0.005 Å
α	90°
β	102.52 ± 0.04°
γ	90°
Cell volume	7731 ± 6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0408
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0681
Weighted residual factors for all reflections included in the refinement	0.0715
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
179805 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/01.	7010168.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010168.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010168.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010168.cif