Information card for entry 4310839

Structure parameters

• Chemical name: (2,6-bis(N-pyrazolyl)pyridine)chloro-platinum(II) chloride dihydrate
• Formula: C11 H13 Cl2 N5 O2 Pt
• Calculated formula: C11 H13 Cl2 N5 O2 Pt
• SMILES: [Pt]12([n]3n(c4[n]1c(n1[n]2ccc1)ccc4)ccc3)Cl.[Cl-].O.O
• Title of publication: A Luminescent Platinum(II) 2,6-Bis(N-pyrazolyl)pyridine Complex
• Authors of publication: Stuart A. Willison; Hershel Jude; Ryan M. Antonelli; Jeffrey M. Rennekamp; Nathan A. Eckert; Jeanette A. Krause Bauer; William B. Connick
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2548 - 2555
• a: 11.3218 ± 0.0005 Å
• b: 6.7716 ± 0.0003 Å
• c: 20.6501 ± 0.0006 Å
• α: 90°
• β: 105.883 ± 0.002°
• γ: 90°
• Cell volume: 1522.73 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0529
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No