Information card for entry 4338374

Structure parameters

• Formula: C76 H90 Ga2 I2 N4 O2
• Calculated formula: C76 H90 Ga2 I2 N4 O2
• SMILES: C12C(c3c4c1cccc4ccc3)=[N](c1c(cccc1C(C)C)C(C)C)[Ga](I)([N]=2c1c(cccc1C(C)C)C(C)C)[Ga]1(I)[N](=C2C(c3c4c2cccc4ccc3)=[N]1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.COCCOC
• 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: 10.7776 ± 0.0006 Å
• b: 12.904 ± 0.0007 Å
• c: 14.3443 ± 0.0008 Å
• α: 77.343 ± 0.001°
• β: 70.429 ± 0.001°
• γ: 66.621 ± 0.001°
• Cell volume: 1716.76 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No