Crystallography Open Database

Information card for entry 7010091

Preview

Coordinates	7010091.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[AlCl2{Me3SiNC(Ph)N(CH2)3NMe2}]
Formula	C15 H26 Al Cl2 N3 Si
Calculated formula	C15 H26 Al Cl2 N3 Si
SMILES	[Al]12(Cl)(Cl)N([Si](C)(C)C)C(=[N]1CCC[N]2(C)C)c1ccccc1
Title of publication	Synthesis and structures of lithium, aluminium, gallium and lanthanide amidinates containing a γ-pendant amine functionality
Authors of publication	David Doyle; Yurii K. Gun'ko; Peter B. Hitchcock; Michael F. Lappert
Journal of publication	J. Chem. Soc., Dalton Trans.
Year of publication	2000
Journal issue	22
Pages of publication	4093 - 4097
a	8.8881 ± 0.0003 Å
b	11.4278 ± 0.0005 Å
c	10.3472 ± 0.0005 Å
α	90°
β	109.373 ± 0.002°
γ	90°
Cell volume	991.47 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0319
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0736
Weighted residual factors for all reflections included in the refinement	0.0753
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
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
179804 (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 7/01/00.	7010091.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010091.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010091.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010091.cif