Information card for entry 4322100

Structure parameters

• Common name: Ru(bpy)(CO)2ClH
• Formula: C12 H9 Cl N2 O2 Ru
• Calculated formula: C12 H9 Cl N2 O2 Ru
• SMILES: [RuH]1(Cl)(C#[O])(C#[O])[n]2ccccc2c2[n]1cccc2
• Title of publication: Reactions of Ruthenium Bipyridine Catalyst Precursors: Synthetic, Structural, and Theoretical Studies on Ruthenium Mono(bipyridine) Carbonyls in Ethylene Glycol Solutions
• Authors of publication: Matti Haukka; Pipsa Hirva; Saija Luukkanen; Mirja Kallinen; Markku Ahlgrén; Tapani A. Pakkanen
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 3182 - 3189
• a: 6.3871 ± 0.001 Å
• b: 8.132 ± 0.002 Å
• c: 12.693 ± 0.003 Å
• α: 89.2 ± 0.03°
• β: 81.37 ± 0.03°
• γ: 81.2 ± 0.03°
• Cell volume: 644.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0355
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No