Crystallography Open Database

Information card for entry 1515774

Preview

Coordinates	1515774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H74 B2 Ga3 I3 N14 S6
Calculated formula	C46 H74 B2 Ga3 I3 N14 S6
Title of publication	Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment
Authors of publication	Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard
Journal of publication	Chemical Science
Year of publication	2010
Journal volume	1
Journal issue	2
Pages of publication	210
a	14.953 ± 0.002 Å
b	20.106 ± 0.003 Å
c	11.2381 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	3378.7 ± 0.9 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	7
Space group number	32
Hermann-Mauguin space group symbol	P b a 2
Hall space group symbol	P 2 -2ab
Residual factor for all reflections	0.0537
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0979
Weighted residual factors for all reflections included in the refinement	0.1061
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515774.cif
112250	2014-04-30	cif/ Adding structures of 1515770, 1515771, 1515772, 1515773, 1515774, 1515775, 1515776, 1515777, 1515778, 1515779, 1515780, 1515781, 1515782, 1515783 via cif-deposit CGI script.	1515774.cif