Information card for entry 4338375

Structure parameters

• Formula: C48 H53 Ga I N3
• Calculated formula: C48 H53 Ga I N3
• SMILES: [Ga]1(I)(N(C2=C(N1c1c(cccc1C(C)C)C(C)C)c1c3c2cccc3ccc1)c1c(cccc1C(C)C)C(C)C)[n]1ccccc1.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: 12.2025 ± 0.0004 Å
• b: 19.499 ± 0.0007 Å
• c: 17.634 ± 0.0006 Å
• α: 90°
• β: 90.717 ± 0.001°
• γ: 90°
• Cell volume: 4195.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No