Information card for entry 4071580

Structure parameters

• Formula: C14 H16 F I N2 Pt
• Calculated formula: C14 H16 F I N2 Pt
• SMILES: [Pt]1(I)([NH2][C@@H](C)c2ccc(F)cc12)[n]1ccc(cc1)C
• Title of publication: Orthoplatination of Primary Amines
• Authors of publication: Calmuschi-Cula, Beatrice; Englert, Ulli
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 3124
• a: 19.091 ± 0.003 Å
• b: 19.091 ± 0.003 Å
• c: 16.95 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6177.7 ± 1.8 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 80
• Hermann-Mauguin space group symbol: I 41
• Hall space group symbol: I 4bw
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No