Information card for entry 4340270

Structure parameters

• Formula: C13 H19 B9 N2 O Ru
• Calculated formula: C13 H19 B9 N2 O Ru
• SMILES: [Ru]12345([n]6ccccc6c6[n]1cccc6)([BH]167[BH]89%10[BH]%11%12%13[BH]%14%159[BH]968[BH]631[BH]132[BH]%11%14([BH]%15961)[CH]5%133[CH]47%10%12)C#[O]
• Title of publication: Synthesis and characterization of ruthenacarborane complexes incorporating chelating N-donor ligands: unexpected luminescence from the complex [3-CO-3,3-kappa2-Me2N(CH2)2NMe2]-closo-3,1,2-RuC2B9H11].
• Authors of publication: Jelliss, Paul A.; Mason, Justin; Nazzoli, Jamie M.; Orlando, Justin H.; Vinson, Albert; Rath, Nigam P.; Shaw, Michael J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 370 - 385
• a: 7.5955 ± 0.0002 Å
• b: 21.3584 ± 0.0006 Å
• c: 11.044 ± 0.0003 Å
• α: 90°
• β: 102.502 ± 0.001°
• γ: 90°
• Cell volume: 1749.16 ± 0.08 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.237
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No