Information card for entry 4322344

Structure parameters

• Chemical name: [Pt2Au2(dmb)2(PPh3)4](PF6)2
• Formula: C48 H48 Au F6 N2 P3 Pt
• Calculated formula: C48 H48 Au F6 N2 P3 Pt
• Title of publication: Preparation, Spectroscopic Characterization, and Frontier MO Study of the Heteronuclear Luminescent [Pt2Au2(dmb)2(PPh3)4](PF6)2 Cluster (dmb = 1,8-Diisocyano-p-menthane). A Cluster with a Formal Au0-Au0 Bond Encapsulated inside a "Pt2(dmb)22+" Fragment
• Authors of publication: Tianle Zhang; Marc Drouin; Pierre D. Harvey
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4928 - 4936
• a: 12.0371 ± 0.0009 Å
• b: 14.0188 ± 0.0009 Å
• c: 15.3362 ± 0.0011 Å
• α: 63.79 ± 0.005°
• β: 80.348 ± 0.007°
• γ: 86.711 ± 0.007°
• Cell volume: 2288.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.5406 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No