Information card for entry 7037570

Structure parameters

• Formula: C56 H57 Cl7 N2 P2 Ru2
• Calculated formula: C56 H57 Cl7 N2 P2 Ru2
• SMILES: Cl[Ru]12345(Cl)([P](CN6CN(c7cccc8cccc6c78)C[P]([Ru]6789%10(Cl)(Cl)[c]%11([cH]6[c]7([cH]8[c]9([cH]%10%11)C)C)C)(c6ccccc6)c6ccccc6)(c6ccccc6)c6ccccc6)[c]6([cH]1[c]2([cH]3[c]4([cH]56)C)C)C.ClC(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: 14.8173 ± 0.0004 Å
• b: 14.9752 ± 0.0004 Å
• c: 24.048 ± 0.0006 Å
• α: 89.7761 ± 0.0016°
• β: 89.3856 ± 0.0019°
• γ: 87.7982 ± 0.0012°
• Cell volume: 5331.8 ± 0.2 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: 0.1534
• Residual factor for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections: 0.273
• Weighted residual factors for significantly intense reflections: 0.2513
• Weighted residual factors for all reflections included in the refinement: 0.273
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9609
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No