Crystallography Open Database

Information card for entry 7004763

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Coordinates	7004763.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(3-Methylamino-1-propanolato-O,N)-di-tert.-butylgallium
Chemical name	[3-Methylamino-1-propanolato-O,N]-di-tert.-butylgallium
Formula	C12 H28 Ga N O
Calculated formula	C12 H28 Ga N O
SMILES	[Ga]1([NH](CCCO1)C)(C(C)(C)C)C(C)(C)C
Title of publication	Organo-aluminium and -gallium complexes with ω-NH-functional alkoxide ligands
Authors of publication	Willner, Alexander; Hepp, Alexander; Mitzel, Norbert W.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	47
Pages of publication	6832 - 6842
a	10.0328 ± 0.0013 Å
b	19.091 ± 0.003 Å
c	15.374 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2944.7 ± 0.7 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0539
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0678
Weighted residual factors for all reflections included in the refinement	0.0746
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
179751 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/47.	7004763.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7004763.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7004763.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7004763.cif