Information card for entry 4338377

Structure parameters

• Formula: C84 H104 Ag B F4 N4 O3
• Calculated formula: C84 H104 Ag B F4 N4 O3
• SMILES: [Ag]12([N](=C3C(=[N]1c1c(cccc1C(C)C)C(C)C)c1c4c3cccc4ccc1)c1c(cccc1C(C)C)C(C)C)[N](=C1C(=[N]2c2c(cccc2C(C)C)C(C)C)c2c3c1cccc3ccc2)c1c(cccc1C(C)C)C(C)C.[B](F)(F)(F)[F-].O1CCCC1.O1CCCC1.O1CCCC1
• 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: 12.8321 ± 0.0009 Å
• b: 26.0947 ± 0.0017 Å
• c: 23.6182 ± 0.0016 Å
• α: 90°
• β: 105.682 ± 0.002°
• γ: 90°
• Cell volume: 7614.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.151
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No