Crystallography Open Database

Information card for entry 4087609

Preview

Coordinates	4087609.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H26 Br12 Cl2 Ga4 O12
Calculated formula	C16 H26 Br12 Cl2 Ga4 O12
SMILES	[Ga]([Br-])(Br)(Br)Br.[Ga](Br)(Br)([Br-])Br.[Ga](Br)(Br)(Br)[Br-].[Ga]123([O]=C(OC)CC(=[O]1)OC)([O]=C(OC)CC(=[O]2)OC)[O]=C(OC)CC(=[O]3)OC.ClCCl
Title of publication	Synthesis and Structures of Cyclopropanedicarboxylate Gallium Complexes
Authors of publication	Novikov, Roman A.; Potapov, Konstantin V.; Chistikov, Daniil N.; Tarasova, Anna V.; Grigoriev, Michail S.; Timofeev, Vladimir P.; Tomilov, Yury V.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	17
Pages of publication	4238
a	13.9506 ± 0.0006 Å
b	15.3484 ± 0.0006 Å
c	20.9664 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	4489.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1584
Residual factor for significantly intense reflections	0.0842
Weighted residual factors for significantly intense reflections	0.1951
Weighted residual factors for all reflections included in the refinement	0.2332
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
236871 (current)	2019-11-24	cif/ Adding structures of 4087609 via cif-deposit CGI script.	4087609.cif