Information card for entry 4071578

Structure parameters

• Formula: C14 H17 I N2 Pt
• Calculated formula: C14 H17 I N2 Pt
• SMILES: [Pt]1(I)([NH2][C@H](C)c2ccccc12)[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: 19.0287 ± 0.0005 Å
• b: 19.0287 ± 0.0005 Å
• c: 16.3448 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5918.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 80
• Hermann-Mauguin space group symbol: I 41
• Hall space group symbol: I 4bw
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No