Crystallography Open Database

Information card for entry 7024668

Preview

Coordinates	7024668.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H47 Ga I2 N3
Calculated formula	C43 H47 Ga I2 N3
SMILES	[Ga]12(I)(I)[N](c3c(cccc3C(C)C)C(C)C)=C(c3ccccc3)c3cccc([n]23)C(=[N]1c1c(cccc1C(C)C)C(C)C)c1ccccc1
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	8.411 ± 0.002 Å
b	9.72 ± 0.002 Å
c	13.536 ± 0.003 Å
α	76.463 ± 0.004°
β	78.265 ± 0.004°
γ	67.402 ± 0.004°
Cell volume	985.3 ± 0.4 Å³
Cell temperature	202 ± 2 K
Ambient diffraction temperature	202 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1283
Residual factor for significantly intense reflections	0.0738
Weighted residual factors for significantly intense reflections	0.1589
Weighted residual factors for all reflections included in the refinement	0.1836
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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.	7024668.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	7024668.cif
92630	2014-01-12	cif/ Adding structures of 7024666, 7024667, 7024668, 7024669 via cif-deposit CGI script.	7024668.cif