Information card for entry 4317626

Structure parameters

• Formula: C52 H54 F12 P4 Pt3 Se2
• Calculated formula: C52 H54 F12 P4 Pt3 Se2
• SMILES: [Pt]1([Se]2[Pt]345([Se]1[Pt]6782[CH]1=[CH]7CC[CH]8=[CH]6CC1)[CH]1=[CH]4CC[CH]5=[CH]3CC1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Metal Scrambling in the Trinuclear {Pt2Se2M} (M = Pt, Pd, Au) System Using an Electrospray Mass Spectrometry (ESMS) Directed Synthetic Methodology; Isolation and Crystallographic Characterization of {Pt2(μ3-Se)2(PPh3)4[Pt(cod)]}{PF6}2 and {Pt(μ3-Se)2(PPh3)2[Pt(cod)]2}{PF6}2 (cod = Cyclo-octa-1,5-diene)
• Authors of publication: Jeremy S. L. Yeo; Jagadese J. Vittal; William Henderson; T. S. Andy Hor
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1194 - 1198
• a: 15.8939 ± 0.0002 Å
• b: 11.8889 ± 0.0001 Å
• c: 29.2574 ± 0.0001 Å
• α: 90°
• β: 97.456 ± 0.001°
• γ: 90°
• Cell volume: 5481.76 ± 0.09 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• 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: 0.0431
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No