Information card for entry 2015478

Structure parameters

• Chemical name: chloro(2,2':6',2''-terpyridine)platinum(II) chloride dihydrate
• Formula: C15 H15 Cl2 N3 O2 Pt
• Calculated formula: C15 H15 Cl2 N3 O2 Pt
• SMILES: c1cccc2[n]1[Pt]1([n]3c2cccc3c2cccc[n]12)Cl.O.O.[Cl-]
• Title of publication: Red and yellow solvates of chloro(2,2':6',2''-terpyridine)platinum(II) chloride and Pt···Pt interactions
• Authors of publication: Angle, Christina S.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Linda H. Doerrer
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m340 - m342
• a: 6.9085 ± 0.0006 Å
• b: 17.0822 ± 0.0015 Å
• c: 13.8402 ± 0.0012 Å
• α: 90°
• β: 98.586 ± 0.002°
• γ: 90°
• Cell volume: 1615 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes