Information card for entry 7037565

Structure parameters

• Formula: C56 H72 Cl3 N2 Os P3
• Calculated formula: C56 H72 Cl3 N2 Os P3
• 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: 20.2271 ± 0.0003 Å
• b: 19.835 ± 0.0002 Å
• c: 14.1997 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5696.98 ± 0.13 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections: 0.1563
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0624
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No