Information card for entry 4310398

Structure parameters

• Formula: C27.5 H37.5 Cl4.5 F3 N3 O5 Pt S
• Calculated formula: C27.5 H37.5 Cl4.5 F3 N3 O5 Pt S
• Title of publication: Tuning the Electronic Structures of Platinum(II) Complexes with a Cyclometalating Aryldiamine Ligand
• Authors of publication: Hershel Jude; Jeanette A. Krause Bauer; William B. Connick
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 725 - 733
• a: 17.1236 ± 0.001 Å
• b: 9.3591 ± 0.0005 Å
• c: 21.3189 ± 0.0011 Å
• α: 90°
• β: 96.11°
• γ: 90°
• Cell volume: 3397.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0293
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.0486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No