Information card for entry 4301447

Structure parameters

• Common name: eisjs20
• Formula: C24 H18 N2 O2
• Calculated formula: C24 H18 N2 O2
• SMILES: n1ccccc1c1nc(cc(c1)c1ccc(cc1)C(=O)OC)c1ccccc1
• Title of publication: Synthesis, Electrochemistry, Photophysics, and Solvatochromism in New Cyclometalated 6-Phenyl-4-(p-R-phenyl)-2,2'-bipyridyl (R = Me, COOMe, P(O)(OEt)2) (C^N^N) Platinum(II) Thiophenolate Chromophores
• Authors of publication: Jacob Schneider; Pingwu Du; Xiaoyong Wang; William W. Brennessel; Richard Eisenberg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1498 - 1506
• a: 28.8215 ± 0.0018 Å
• b: 6.9172 ± 0.0004 Å
• c: 18.2398 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3636.4 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No