Crystallography Open Database

Information card for entry 4082331

Preview

Coordinates	4082331.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H38 B Cl4 F4 Ga N2
Calculated formula	C28 H38 B Cl4 F4 Ga N2
Title of publication	Structure, Stability, and Catalytic Activity of Fluorine-Bridged Complexes IPr·GaCl2(μ-F)EFn‒1(EFn‒= SbF6‒, PF6‒, or BF4‒)
Authors of publication	Bour, Christophe; Monot, Julien; Tang, Shun; Guillot, Régis; Farjon, Jonathan; Gandon, Vincent
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	2
Pages of publication	594
a	17.3894 ± 0.0005 Å
b	51.5072 ± 0.0016 Å
c	10.9303 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	9790 ± 0.5 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	7
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0703
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1172
Weighted residual factors for all reflections included in the refinement	0.1232
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation probe	x-ray
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
178712 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/23.	4082331.cif
104375	2014-03-11	cif/ Adding structures of 4082330, 4082331, 4082332, 4082333 via cif-deposit CGI script.	4082331.cif