Information card for entry 4322091

Structure parameters

• Formula: C43 H43 B9 Cl2 O4 P2 Ru2
• Calculated formula: C43 H43 B9 Cl2 O4 P2 Ru2
• SMILES: [Ru]12345([H][Ru]([B]1678[CH]193[CH]3%102[BH]24%11[BH]654[BH]658[BH]879[BH]17%10[BH]132[BH]%1146[BH]5871)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O].C(Cl)Cl
• Title of publication: The Reagent [K(18-crown-6)][RuH(PPh3)2(η5-7,8-C2B9H11)] as a Precursor to New Ruthenacarborane Complexes
• Authors of publication: Dianne D. Ellis; Samantha M. Couchman; John C. Jeffery; John M. Malget; F. Gordon A. Stone
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 2981 - 2988
• a: 10.9437 ± 0.0014 Å
• b: 17.901 ± 0.004 Å
• c: 23.818 ± 0.003 Å
• α: 90°
• β: 90.737 ± 0.011°
• γ: 90°
• Cell volume: 4665.6 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0466
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for all reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.0613
• Goodness-of-fit parameter for all reflections: 0.975
• Goodness-of-fit parameter for significantly intense reflections: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No