Information card for entry 8103303

Structure parameters

• Chemical name: 3-Phenylpyridinium pentachloro(3-phenylpyridine-κ<i>N</i>)platinate(IV) - water (1:1)
• Formula: C22 H21 Cl5 N2 O Pt
• Calculated formula: C22 H21 Cl5 N2 O Pt
• SMILES: [Pt](Cl)(Cl)(Cl)(Cl)(Cl)[n]1cc(ccc1)c1ccccc1.[nH+]1cc(ccc1)c1ccccc1.O
• Title of publication: Crystal structure of 3-phenylpyridinium pentachloro(3-phenylpyridine-kN)platinate(IV) hydrate, [C11H10N][PtCl5(C11H9N)] · H2O
• Authors of publication: Kwang Ha
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 1
• Pages of publication: 12
• a: 7.2901 ± 0.0005 Å
• b: 21.9411 ± 0.0016 Å
• c: 29.264 ± 0.002 Å
• α: 90°
• β: 92.829 ± 0.002°
• γ: 90°
• Cell volume: 4675.2 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0807
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No