Information card for entry 7037566

Structure parameters

• Formula: C55 H46 Cl N2 Os P3
• Calculated formula: C55 H46 Cl N2 Os P3
• SMILES: [OsH]12([P](CN3C=2N(c2cccc4cccc3c24)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)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: 10.3466 ± 0.0011 Å
• b: 12.5221 ± 0.0012 Å
• c: 20.2101 ± 0.0018 Å
• α: 82.067 ± 0.005°
• β: 83.655 ± 0.007°
• γ: 68.642 ± 0.005°
• Cell volume: 2410.1 ± 0.4 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: 0.0788
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections: 0.1272
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No