Information card for entry 4087609

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 ų
• 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 Fobs: No