Information card for entry 7027900

Structure parameters

• Formula: C42 H76 Cl8 P12 Pt2
• Calculated formula: C42 H76 Cl8 P12 Pt2
• SMILES: [C@]12(C(C)(C)C)[P@]3([Pt]4([P]5([C@]6(C(C)(C)C)P3[C@@]3(P1[C@@](P63)(P25)C(C)(C)C)C(C)(C)C)[Pt]1([P@]2([C@]3(C(C)(C)C)P5[C@@]6(P2[C@@]2(C(C)(C)C)P6[C@@]5(P3[P]412)C(C)(C)C)C(C)(C)C)Cl)Cl)Cl)Cl.C(Cl)Cl.C(Cl)Cl
• 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: 10.0916 ± 0.0002 Å
• b: 19.9361 ± 0.0005 Å
• c: 15.0292 ± 0.0004 Å
• α: 90°
• β: 101.825 ± 0.002°
• γ: 90°
• Cell volume: 2959.51 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0446
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No