Crystallography Open Database

Information card for entry 7110605

Preview

Coordinates	7110605.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Bert*GaCl2
Formula	C36 H49 Cl2 Ga
Calculated formula	C36 H49 Cl2 Ga
SMILES	c1(c(cccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)[Ga](Cl)Cl
Title of publication	Characterization of 2,6-Trip2H3C6GaCl2, {2,6-Trip2H3C6InCl(μ-Cl)}2 and {2,6-Trip2H3C6GaCl(μ-OH)}2 (Trip = 2,4,6-triisopropylphenyl)
Authors of publication	Twamley, Brendan; Power, Philip P.
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	18
Pages of publication	1805
a	11.069 ± 0.002 Å
b	12.17 ± 0.002 Å
c	25.275 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	3404.8 ± 1.1 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	4
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.1522
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.1096
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
180220 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/06.	7110605.cif
95492	2014-01-28	cif/ Adding structures of 7110605, 7110606, 7110607 via cif-deposit CGI script.	7110605.cif