Information card for entry 4300884

Structure parameters

• Chemical name: bipyridine-(1,4,7-trithiacyclononane)platinum(II) bis(hexafluorophosphate)
• Formula: C16 H20 F12 N2 P2 Pt S3
• Calculated formula: C16 H20 F12 N2 P2 Pt S3
• SMILES: [Pt]12([n]3c(c4[n]2cccc4)cccc3)[S]2CC[S]1CCSCC2.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 10.2529 ± 0.0003 Å
• b: 10.7791 ± 0.0003 Å
• c: 10.7867 ± 0.0003 Å
• α: 83.886 ± 0.001°
• β: 87.565 ± 0.001°
• γ: 84.901 ± 0.001°
• Cell volume: 1179.99 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0181
• Residual factor for significantly intense reflections: 0.0174
• Weighted residual factors for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections included in the refinement: 0.0447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No