Crystallography Open Database

Information card for entry 7003668

Preview

Coordinates	7003668.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	N,N'-Bis-oxo-N,N'-di-tert-butylethylenediamine tetramethyldigallate
Chemical name	1,4-Di-tert.-Butyl-2,2,5,5-tetramethyl-2,5-digalla -3,6-dioxa-1,4-diazabicyclo[2,2,2]octane
Formula	C14 H34 Ga2 N2 O2
Calculated formula	C14 H34 Ga2 N2 O2
SMILES	C[Ga]1(C)[N]2(C(C)(C)C)CC[N](C(C)(C)C)(O1)[Ga](O2)(C)C
Title of publication	Structural diversity in bishydroxylamine complexes of gallium
Authors of publication	Bösing, Patrick; Willner, Alexander; Pape, Tania; Hepp, Alexander; Mitzel, Norbert W.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	19
Pages of publication	2549 - 2556
a	14.896 ± 0.003 Å
b	7.502 ± 0.0015 Å
c	17.432 ± 0.004 Å
α	90°
β	93.9 ± 0.03°
γ	90°
Cell volume	1943.5 ± 0.7 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0413
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0912
Weighted residual factors for all reflections included in the refinement	0.0928
Goodness-of-fit parameter for all reflections included in the refinement	1.241
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
179740 (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 7/00/36.	7003668.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003668.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003668.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7003668.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.	7003668.cif