Information card for entry 2241577

Structure parameters

• Chemical name: Tetraethylammonium tribromido(2-methyl-1,3-benzothiazole-κ<i>N</i>)platinate(II)
• Formula: C16 H27 Br3 N2 Pt S
• Calculated formula: C16 H27 Br3 N2 Pt S
• SMILES: [N+](CC)(CC)(CC)CC.[Pt](Br)(Br)(Br)[n]1c(sc2c1cccc2)C
• Title of publication: New platinum(II) complexes with benzothiazole ligands
• Authors of publication: Carmona-Negrón, José A.; Cádiz, Mayra E.; Moore, Curtis E.; Rheingold, Arnold L.; Meléndez, Enrique
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 3
• Pages of publication: 412 - 416
• a: 12.114 ± 0.003 Å
• b: 10.656 ± 0.003 Å
• c: 34.043 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4395 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes