Information card for entry 7116075

Structure parameters

• Formula: C37.5 H30.51 Au2 Na2 Ni O12 P2 S2
• Calculated formula: C36 H34 Au2 Na2 Ni O10 P2 S2
• SMILES: [Au]([S]1[Ni]234([S]5[C@H](C(=O)O4)CC(=O)O2)OC(=O)[C@@H]1CC(=O)O3)[P](CC[P]([Au]5)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Na+].[Na+].OC.OC
• Title of publication: Proton-controlled formation and interconversion of AuI2NiII trinuclear and AuI4NiII3 heptanuclear complexes with mixed thiomalate and bis(diphenylphosphino)ethane
• Authors of publication: Kosuke Igawa; Nobuto Yoshinari; Takumi Konno
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 15573
• a: 17.848 ± 0.003 Å
• b: 21.586 ± 0.003 Å
• c: 33.891 ± 0.003 Å
• α: 90°
• β: 106.314 ± 0.01°
• γ: 90°
• Cell volume: 12531 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2113
• Residual factor for significantly intense reflections: 0.1771
• Weighted residual factors for significantly intense reflections: 0.5102
• Weighted residual factors for all reflections included in the refinement: 0.524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.822
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No