Information card for entry 7037563

Structure parameters

• Formula: C56 H49 Cl4 N2 P3 Ru
• Calculated formula: C56 H49 Cl4 N2 P3 Ru
• 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: 11.3781 ± 0.0002 Å
• b: 12.6054 ± 0.0004 Å
• c: 18.8891 ± 0.0006 Å
• α: 71.3895 ± 0.0012°
• β: 76.4431 ± 0.0016°
• γ: 72.4232 ± 0.0016°
• Cell volume: 2418.91 ± 0.12 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0717
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections: 0.0964
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9639
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No