Information card for entry 7027899

Structure parameters

• Formula: C40 H72 Cl2 P12 Pt
• Calculated formula: C40 H72 Cl2 P12 Pt
• SMILES: [Pt]1(Cl)([P]2(Cl)P3[C@@]4(P5[C@]2(P2P1[C@]3(P4[C@]52C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)[P]12P3[C@]4(P5[C@@]2(P2P1[C@@]3(P4[C@@]52C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.[Pt]1(Cl)([P]2(Cl)P3[C@]4(P5[C@@]2(P2P1[C@@]3(P4[C@@]52C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)[P]12P3[C@@]4(P5[C@]2(P2P1[C@]3(P4[C@]52C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Facile insertion and halogen migration reactions of the hexaphosphapentaprismane cage P6C4tBu4 with zerovalent and divalent platinum complexes
• Authors of publication: Al-Ktaifani, Mahmoud M.; Hitchcock, Peter B.; Nixon, John F.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 9
• Pages of publication: 1132 - 1135
• a: 9.9079 ± 0.0005 Å
• b: 12.0315 ± 0.0007 Å
• c: 24.4729 ± 0.0015 Å
• α: 80.534 ± 0.003°
• β: 78.741 ± 0.004°
• γ: 66.069 ± 0.004°
• Cell volume: 2603.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No