Crystallography Open Database

Information card for entry 4082333

Preview

Coordinates	4082333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H36 F3 Ga N2
Calculated formula	C27 H36 F3 Ga N2
SMILES	C(C)(C)c1c(c(C(C)C)ccc1)N1C(N(C=C1)c1c(C(C)C)cccc1C(C)C)=[Ga](F)(F)F
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	10.2109 ± 0.0003 Å
b	18.4364 ± 0.0004 Å
c	14.6671 ± 0.0004 Å
α	90°
β	104.16 ± 0.001°
γ	90°
Cell volume	2677.22 ± 0.12 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	5
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	0.0626
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.1119
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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.	4082333.cif
104375	2014-03-11	cif/ Adding structures of 4082330, 4082331, 4082332, 4082333 via cif-deposit CGI script.	4082333.cif