Information card for entry 2241580

Structure parameters

• Chemical name: Tetraethylammonium tribromido(2-methyl-5-nitro-1,3-benzothiazole-κ<i>N</i>)platinate(II)
• Formula: C16 H26 Br3 N3 O2 Pt S
• Calculated formula: C16 H26 Br3 N3 O2 Pt S
• SMILES: [N+](CC)(CC)(CC)CC.[Pt](Br)(Br)(Br)[n]1c(sc2c1cc(N(=O)=O)cc2)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: 8.117 ± 0.0003 Å
• b: 29.2717 ± 0.0012 Å
• c: 9.5102 ± 0.0004 Å
• α: 90°
• β: 100.72 ± 0.001°
• γ: 90°
• Cell volume: 2220.17 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.032
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes