Crystallography Open Database

Information card for entry 7110607

Preview

Coordinates	7110607.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Bert*Ga(mu-OH)Cl]2 2 C6H6
Formula	C84 H112 Cl2 Ga2 O2
Calculated formula	C84 H112 Cl2 Ga2 O2
SMILES	c1c(C(C)C)c(c2c([Ga]3(Cl)[OH][Ga](c4c(cccc4c4c(cc(cc4C(C)C)C(C)C)C(C)C)c4c(cc(cc4C(C)C)C(C)C)C(C)C)([OH]3)Cl)c(ccc2)c2c(cc(cc2C(C)C)C(C)C)C(C)C)c(cc1C(C)C)C(C)C.c1ccccc1.c1ccccc1
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	14.2605 ± 0.001 Å
b	15.9037 ± 0.001 Å
c	18.0905 ± 0.0012 Å
α	90°
β	108.613 ± 0.002°
γ	90°
Cell volume	3888.2 ± 0.5 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1533
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.0899
Weighted residual factors for all reflections included in the refinement	0.1037
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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.	7110607.cif
95492	2014-01-28	cif/ Adding structures of 7110605, 7110606, 7110607 via cif-deposit CGI script.	7110607.cif