Information card for entry 4318302

Structure parameters

• Formula: C40 H50 N2 O2 Pt
• Calculated formula: C40 H50 N2 O2 Pt
• SMILES: [Pt]12(N(c3c(c(cc(c3)C(C)(C)C)C(C)(C)C)O1)c1ccccc1)N(c1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O2)c1ccccc1
• Title of publication: o-Iminobenzosemiquinonato(1-) and o-Amidophenolato(2-) Complexes of Palladium(II) and Platinum(II): A Combined Experimental and Density Functional Theoretical Study
• Authors of publication: Xianru Sun; Hyungphil Chun; Knut Hildenbrand; Eberhard Bothe; Thomas Weyhermüller; Frank Neese; Karl Wieghardt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4295 - 4303
• a: 5.779 ± 0.0003 Å
• b: 11.708 ± 0.0005 Å
• c: 13.6868 ± 0.0006 Å
• α: 108.51 ± 0.01°
• β: 92.94 ± 0.01°
• γ: 94 ± 0.01°
• Cell volume: 873.37 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for all reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.054
• Goodness-of-fit parameter for all reflections: 1.054
• Goodness-of-fit parameter for significantly intense reflections: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No