Information card for entry 4081452

Structure parameters

• Formula: C81 H66 O6 P6 Pt6
• Calculated formula: C81 H66 O6 P6 Pt6
• SMILES: C1(=O)[Pt]234C(=O)[Pt]564C(=O)[Pt]135[P](c1ccccc1)(c1ccccc1)C[P](c1ccccc1)(c1ccccc1)[Pt]134C(=O)[Pt]53(C(=O)[Pt]54(C1=O)[P](C[P]6(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Tetrahedral [HnPt4(CO)4(P∧P)2]n+(n= 1, 2; P∧P = CH2═C(PPh2)2) Cationic Mono- and Dihydrido Carbonyl Clusters Obtained by Protonation of the Neutral Pt4(CO)4(P∧P)2
• Authors of publication: Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 18
• Pages of publication: 5180
• a: 52.082 ± 0.003 Å
• b: 12.8563 ± 0.0008 Å
• c: 21.3839 ± 0.0014 Å
• α: 90°
• β: 91.339 ± 0.001°
• γ: 90°
• Cell volume: 14314.4 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No