Crystallography Open Database

Information card for entry 7026482

Preview

Coordinates	7026482.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H24 B Br2 Ga N4 S2
Calculated formula	C14 H24 B Br2 Ga N4 S2
SMILES	[Ga]1(Br)(Br)[S]=c2n([BH2]n3c(=[S]1)n(cc3)C(C)(C)C)ccn2C(C)(C)C
Title of publication	Bis(2-mercapto-1-R-imidazolyl)hydroborato complexes of aluminium, gallium, indium and thallium: compounds possessing gallium-gallium bonds and a trivalent thallium alkyl.
Authors of publication	Yurkerwich, Kevin; Coleman, Fergal; Parkin, Gerard
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	30
Pages of publication	6939 - 6942
a	11.5227 ± 0.0005 Å
b	12.6478 ± 0.0005 Å
c	28.791 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	4195.9 ± 0.3 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0375
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0551
Weighted residual factors for all reflections included in the refinement	0.0592
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
179970 (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 7/02/64.	7026482.cif
93511	2014-01-13	cif/ Adding structures of 7026473, 7026474, 7026475, 7026476, 7026477, 7026478, 7026479, 7026480, 7026481, 7026482, 7026483, 7026484, 7026485, 7026486 via cif-deposit CGI script.	7026482.cif