Information card for entry 4300889

Structure parameters

• Chemical name: 4,4'-di-tert-butylbipyridine-(1,4,7-trithiacyclononane)platinum(II) bis(hexafluorophosphate) acetonitrile benzene solvate
• Formula: C31 H45 F12 N4 P2 Pt S3
• Calculated formula: C31 H45 F12 N4 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: 13.0533 ± 0.0013 Å
• b: 13.1714 ± 0.0014 Å
• c: 23.742 ± 0.002 Å
• α: 90°
• β: 104.818 ± 0.002°
• γ: 90°
• Cell volume: 3946.2 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.1524
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No