Information card for entry 2008009

Structure parameters

• Common name: ([9]aneS3)(5-NO2-phen)Pd](PF6)2.MeNO2
• Chemical name: [(5-Nitro-1,10-phenanthroline)(1,4,7-trithiacyclononane-S,S',S")palladium(II)] Bis(hexafluorophosphate) Nitromethane Solvate
• Formula: C19 H22 F12 N4 O4 P2 Pd S3
• Calculated formula: C19 H19 F12 N4 O4 P2 Pd S3
• Title of publication: [(5-Nitro-1,10-phenanthroline-<i>N</i>,<i>N</i>')(1,4,7-trithiacyclononane-<i>S</i>,<i>S</i>',<i>S</i>'')palladium(II)] Bis(hexafluorophosphate) Nitromethane Solvate
• Authors of publication: Blake, Alexander J.; Champness, Neil R.; Li, Wan-Sheung; Schröder, Martin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: IUC9800071
• a: 13.541 ± 0.004 Å
• b: 13.177 ± 0.004 Å
• c: 17.06 ± 0.004 Å
• α: 90°
• β: 98.49 ± 0.02°
• γ: 90°
• Cell volume: 3010.7 ± 1.5 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 8
• 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: 0.121
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.19
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No