Information card for entry 7026157

Structure parameters

• Formula: C23 H23 Cl N2 O2 Ru
• Calculated formula: C23 H23 Cl N2 O2 Ru
• SMILES: [Ru]1(Cl)([n]2ccc(cc2c2ccc(cc12)C)C(C)(C)C)([n]1ccccc1)(C#[O])C#[O]
• Title of publication: The dehydrogenation of ammonia-borane catalysed by dicarbonylruthenacyclic(II) complexes.
• Authors of publication: Boulho, Cédric; Djukic, Jean-Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 38
• Pages of publication: 8893 - 8905
• a: 17.6291 ± 0.0005 Å
• b: 11.5208 ± 0.0003 Å
• c: 24.1776 ± 0.0006 Å
• α: 90°
• β: 115.955 ± 0.002°
• γ: 90°
• Cell volume: 4415.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0418
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No