Information card for entry 7037569

Structure parameters

• Formula: C50 H72 Cl2 N3 P2 Ru
• Calculated formula: C50 H72 Cl2 N3 P2 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: 12.1895 ± 0.0003 Å
• b: 13.3031 ± 0.0004 Å
• c: 17.2277 ± 0.0006 Å
• α: 104.641 ± 0.0016°
• β: 105.887 ± 0.0017°
• γ: 103.368 ± 0.0018°
• Cell volume: 2460.49 ± 0.14 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: 0.0909
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections: 0.1172
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No