Information card for entry 7037571

Structure parameters

• Formula: C39 H34 Au2 Cl8 N2 P2
• Calculated formula: C39 H34 Au2 Cl8 N2 P2
• SMILES: [Au](Cl)[P](CN1CN(c2cccc3cccc1c23)C[P]([Au]Cl)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.ClC(Cl)Cl.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: 11.148 ± 0.0001 Å
• b: 23.5178 ± 0.0004 Å
• c: 16.5354 ± 0.0003 Å
• α: 90°
• β: 100.168 ± 0.0008°
• γ: 90°
• Cell volume: 4267.11 ± 0.11 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for all reflections: 0.1796
• Weighted residual factors for significantly intense reflections: 0.1751
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No