Information card for entry 4300885

Structure parameters

• Chemical name: 4,4'-dimethylbipyridine-(1,4,7-trithiacyclononane)platinum(II) bis(hexafluorophosphate) hydrate acetonitrile solvate
• Formula: C20 H29 F12 N3 O P2 Pt S3
• Calculated formula: C20 H29 F12 N3 O P2 Pt S3
• Title of publication: Intramolecular Metal...Sulfur Interactions of Platinum(II) 1,4,7-Trithiacyclononane Complexes with Bipyridyl Ligands: The Relationship between Molecular and Electronic Structures
• Authors of publication: Tyler W. Green; Rachel Lieberman; Neal Mitchell; Jeanette A. Krause Bauer; William B. Connick
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 1955 - 1965
• a: 10.1895 ± 0.0003 Å
• b: 11.8566 ± 0.0004 Å
• c: 13.1004 ± 0.0004 Å
• α: 77.345 ± 0.001°
• β: 79.967 ± 0.001°
• γ: 72.341 ± 0.001°
• Cell volume: 1461.56 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No