Information card for entry 4310109

Structure parameters

• Formula: C36 H70 Cl O2 P3 Pt
• Calculated formula: C36 H70 Cl O2 P3 Pt
• SMILES: [Pt](Cl)(P(=O)(C1CCCCC1)C1CCCCC1)([PH](C1CCCCC1)C1CCCCC1)[PH](C1CCCCC1)C1CCCCC1.O
• Title of publication: Multinuclear and Dynamic NMR Study of trans-[Pt(Cl)(PHCy2)2(PCy2)], [Pt(Cl)(PHCy2)3][BF4], [Pt(Cl)(PHCy2)3][Cl], trans-[Pt(Cl)(PHCy2)2{P(S)Cy2}], and trans-[Pt(Cl)(PHCy2)2{P(O)Cy2}]. Influence of Intramolecular PO...H-P and Cl...H-P Interactions on Restricted Rotation about Pt-P Bond. X-ray Structure of trans-[Pt(Cl)(PHCy2)2{P(O)Cy2}]
• Authors of publication: Piero Mastrorilli; Cosimo F. Nobile; Mario Latronico; Vito Gallo; Ulli Englert; Francesco P. Fanizzi; Oronzo Sciacovelli
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 9097 - 9104
• a: 11.9262 ± 0.0008 Å
• b: 13.3376 ± 0.001 Å
• c: 13.458 ± 0.0009 Å
• α: 101.035 ± 0.002°
• β: 111.432 ± 0.002°
• γ: 94.637 ± 0.002°
• Cell volume: 1929 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No