Information card for entry 7013290

Structure parameters

• Formula: C11 H15 Cl N2 Pt
• Calculated formula: C11 H15 Cl N2 Pt
• SMILES: [Pt]12(c3ccccc3C=[N]1CC[N]2(C)C)Cl
• Title of publication: Cyclometallation on platinum(II) complexes; the role of the solvent and added base donor capability on the reaction mechanisms
• Authors of publication: Margarita Crespo; Mercè Font-Bardia; Jaume Granell; Manuel Martínez; Xavier Solans
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 19
• Pages of publication: 3763 - 3769
• a: 6.485 ± 0.002 Å
• b: 10.592 ± 0.002 Å
• c: 17.624 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1210.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1948
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No