Information card for entry 4338376

Structure parameters

• Formula: C57 H68 Ga N2 O2
• Calculated formula: C57 H68 Ga N2 O2
• SMILES: [Ga]12(Oc3c(O1)c(ccc3C(C)(C)C)C(C)(C)C)[N](=C1C(=[N]2c2c(cccc2C(C)C)C(C)C)c2c3c1cccc3ccc2)c1c(cccc1C(C)C)C(C)C.c1(ccccc1)C
• Title of publication: Digallane with redox-active diimine ligand: dualism of electron-transfer reactions.
• Authors of publication: Fedushkin, Igor L.; Skatova, Alexandra A.; Dodonov, Vladimir A.; Chudakova, Valentina A.; Bazyakina, Natalia L.; Piskunov, Alexander V.; Demeshko, Serhiy V.; Fukin, Georgy K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 5159 - 5170
• a: 26.9451 ± 0.0008 Å
• b: 20.7134 ± 0.0006 Å
• c: 21.8637 ± 0.0006 Å
• α: 90°
• β: 124.469 ± 0.001°
• γ: 90°
• Cell volume: 10060.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No