Crystallography Open Database

Information card for entry 7024666

Preview

Coordinates	7024666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H58 Cl9 Ga2 I6 N3
Calculated formula	C50 H58 Cl9 Ga2 I6 N3
SMILES	[Ga]12(I)(I)[N](c3c(ccc(c3)C(C)(C)C)C(C)(C)C)=C(c3ccccc3)c3[n]1c(ccc3)C(=[N]2c1c(ccc(c1)C(C)(C)C)C(C)(C)C)c1ccccc1.[Ga](I)(I)(I)[I-].ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
Title of publication	Disproportionation and radical formation in the coordination of "GaI" with bis(imino)pyridines.
Authors of publication	Jurca, Titel; Dawson, Karl; Mallov, Ian; Burchell, Tara; Yap, Glenn P. A.; Richeson, Darrin S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	5
Pages of publication	1266 - 1272
a	20.582 ± 0.008 Å
b	16.057 ± 0.007 Å
c	22.528 ± 0.009 Å
α	90°
β	113.432 ± 0.006°
γ	90°
Cell volume	6831 ± 5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.079
Residual factor for significantly intense reflections	0.0638
Weighted residual factors for significantly intense reflections	0.1792
Weighted residual factors for all reflections included in the refinement	0.1969
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
179951 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/46.	7024666.cif
92630	2014-01-12	cif/ Adding structures of 7024666, 7024667, 7024668, 7024669 via cif-deposit CGI script.	7024666.cif