Information card for entry 7037568

Structure parameters

• Formula: C38 H54 Cl2 N2 O P2 Ru
• Calculated formula: C38 H54 Cl2 N2 O P2 Ru
• SMILES: [Ru]12([P](CN3C=2N(c2cccc4cccc3c24)C[P]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)(C#[O])(Cl)Cl
• Title of publication: Ruthenium and osmium complexes of dihydroperimidine-based N-heterocyclic carbene pincer ligands.
• Authors of publication: McQueen, Caitlin M. A.; Hill, Anthony F.; Ma, Chenxi; Ward, Jas S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 47
• Pages of publication: 20376 - 20385
• a: 12.3266 ± 0.0003 Å
• b: 13.0965 ± 0.0004 Å
• c: 13.107 ± 0.0002 Å
• α: 101.84 ± 0.0015°
• β: 101.575 ± 0.0015°
• γ: 95.3264 ± 0.0012°
• Cell volume: 2008.89 ± 0.09 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for all reflections: 0.1178
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9732
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No