Information card for entry 4118850

Structure parameters

• Formula: C23 H25 N4 O3 Pt
• Calculated formula: C23 H25 N4 O3 Pt
• SMILES: [Pt]12(c3c(c4[n]1cccc4)cccc3c1[n]2cccc1)C1=N(=O)C(C([N]1=O)(C)C)(C)C.O
• Title of publication: NCN Pincer-Pt Complexes Coordinated by (Nitronyl Nitroxide)-2-ide Radical Anion
• Authors of publication: Xun Zhang; Shuichi Suzuki; Masatoshi Kozaki; Keiji Okada
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 17866 - 17868
• a: 9.9464 ± 0.0014 Å
• b: 15.361 ± 0.002 Å
• c: 14.3 ± 0.002 Å
• α: 90°
• β: 97.978 ± 0.003°
• γ: 90°
• Cell volume: 2163.7 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0501
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.27
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No