Information card for entry 7000507

Structure parameters

• Formula: C30 H54 P4 Pt
• Calculated formula: C30 H54 P4 Pt
• SMILES: [Pt]1234(P5C(=C([P]1=[C]35C(C)(C)C)C(C)(C)C)C(C)(C)C)P1C(=C([P]2=[C]41C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Syntheses, structural studies, photoelectron spectra and density functional theory calculations of the “pseudo” tetraphospha-metallocenes [M(η-P2C3But3)2], (M = Ni, Pd, Pt)
• Authors of publication: Cloke, F. Geoffrey N.; Green, Jennifer C.; Hitchcock, Peter B.; Nixon, John F.; Suter, James L.; Wilson, D. James
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 7
• Pages of publication: 1164 - 1171
• a: 14.4887 ± 0.0004 Å
• b: 15.3795 ± 0.0004 Å
• c: 15.2504 ± 0.0004 Å
• α: 90°
• β: 96.988 ± 0.002°
• γ: 90°
• Cell volume: 3372.99 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No