Crystallography Open Database

Information card for entry 7008613

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Coordinates	7008613.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H104 Ga2 K2 N8 O2
Calculated formula	C64 H104 Ga2 K2 N8 O2
SMILES	C1=CN(c2c(cccc2C(C)C)C(C)C)[Ga]2([O]([K]3[N](C)(C)CC[N]3(C)C)[Ga]4([N](C=CN4c3c(cccc3C(C)C)C(C)C)c3c(cccc3C(C)C)C(C)C)[O]2[K]2[N](C)(C)CC[N]2(C)C)[N]1c1c(C(C)C)cccc1C(C)C
Title of publication	Oxidation reactions of an anionic gallium(I) N-heterocyclic carbene analogue with group 16 compounds.
Authors of publication	Baker, Robert J.; Jones, Cameron; Kloth, Marc
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	12
Pages of publication	2106 - 2110
a	12.498 ± 0.003 Å
b	12.816 ± 0.003 Å
c	12.885 ± 0.003 Å
α	83.87 ± 0.03°
β	65.85 ± 0.03°
γ	64.02 ± 0.03°
Cell volume	1686.3 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.091
Residual factor for significantly intense reflections	0.0642
Weighted residual factors for significantly intense reflections	0.1514
Weighted residual factors for all reflections included in the refinement	0.167
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
179790 (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 7/00/86.	7008613.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008613.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008613.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.	7008613.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7008613.cif