Information card for entry 4302084

Structure parameters

• Chemical name: Platinum(II)(acetyl acetonato) (5-(2-Naphthyl)-2-(2-thienyl)cyclopenteno[c]pyridinato-N,C3)
• Formula: C24 H23 N O3 Pt S
• Calculated formula: C24 H23 N O3 Pt S
• SMILES: [Pt]12(c3ccsc3c3[n]2cc(c2c3CCC2)c2ccc(OC)cc2)OC(=CC(=[O]1)C)C
• Title of publication: Synthesis of Cyclometallated Platinum Complexes with Substituted Thienylpyridines and Detailed Characterization of Their Luminescence Properties
• Authors of publication: Dmitry N Kozhevnikov; Valery Kozhevnikov; Maria M. Ustinova; Amedeo Santoro; Duncan W. Bruce; Burkhard König; Rafal Czerwieniec; Tobias Fischer; Manfred Zabel; Hartmut Yersin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4179 - 4189
• a: 7.4727 ± 0.0006 Å
• b: 11.6062 ± 0.001 Å
• c: 12.1314 ± 0.001 Å
• α: 87.409 ± 0.01°
• β: 83.537 ± 0.01°
• γ: 77.083 ± 0.01°
• Cell volume: 1018.79 ± 0.15 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No