Information card for entry 4308908

Structure parameters

• Formula: C48 H63 F6 Mo3 N P2 Ru S4
• Calculated formula: C48 H63 F6 Mo3 N P2 Ru S4
• SMILES: [Ru]12([S]3[Mo]45678([S]1[Mo]19%10%11%12([S]2[Mo]23%13%14%15([S]14)[c]1([c]%13([c]%14([c]2([c]1%15C)C)C)C)C)[c]1([c]9([c]%10([c]%11([c]%121C)C)C)C)C)[c]1([c]5([c]6([c]7([c]18C)C)C)C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[NH3].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Cleavage of Hydrazine N-N Bonds by RuMo3S4 Cubane-Type Clusters
• Authors of publication: Izuru Takei; Keita Dohki; Koji Kobayashi; Toshiaki Suzuki; Masanobu Hidai
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3768 - 3770
• a: 11.135 ± 0.0007 Å
• b: 23.9955 ± 0.0015 Å
• c: 19.7074 ± 0.0013 Å
• α: 90°
• β: 95.005 ± 0.003°
• γ: 90°
• Cell volume: 5245.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0722
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1581
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No