Information card for entry 4319390

Structure parameters

• Formula: C27 H28 Br N3 Pt S2
• Calculated formula: C27 H28 Br N3 Pt S2
• SMILES: [Pt]12([n]3c(c4[n]2ccc(c4)C(C)(C)C)cc(cc3)C(C)(C)C)SC(=C(c2ccc(Br)cc2)C#N)S1
• Title of publication: Syntheses and Structural Characterization of Luminescent Platinum(II) Complexes Containing Di-tert-butylbipyridine and New 1,1-Dithiolate Ligands
• Authors of publication: Sonia Huertas; Muriel Hissler; James E. McGarrah; Rene J. Lachicotte; Richard Eisenberg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1183 - 1188
• a: 15.094 ± 0.0005 Å
• b: 9.5182 ± 0.0003 Å
• c: 20.4772 ± 0.0007 Å
• α: 90°
• β: 111.151 ± 0.001°
• γ: 90°
• Cell volume: 2743.72 ± 0.16 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0668
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.0864
• Goodness-of-fit parameter for all reflections: 1.043
• Goodness-of-fit parameter for significantly intense reflections: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No