Information card for entry 4302083

Structure parameters

• Chemical name: Platinum(II)(acetyl acetonato)(5-Phenyl-2- (2-thienyl)cyclopenteno[c]pyridinato-N,C3)
• Formula: C23 H21 N O2 Pt S
• Calculated formula: C23 H21 N O2 Pt S
• SMILES: [Pt]12(c3ccsc3c3[n]2cc(c2c3CCC2)c2ccccc2)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: 7.3848 ± 0.0003 Å
• b: 12.2243 ± 0.0005 Å
• c: 12.2985 ± 0.0004 Å
• α: 66.667 ± 0.004°
• β: 73.607 ± 0.003°
• γ: 76.079 ± 0.003°
• Cell volume: 967.49 ± 0.07 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0407
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No