Information card for entry 4318298

Structure parameters

• Formula: C30 H33 N3 O Pd
• Calculated formula: C30 H33 N3 O Pd
• SMILES: [Pd]12([n]3c(c4[n]2cccc4)cccc3)Oc2c(cc(cc2N1c1ccccc1)C(C)(C)C)C(C)(C)C
• 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: 10.1455 ± 0.0009 Å
• b: 11.0851 ± 0.0009 Å
• c: 13.1358 ± 0.0012 Å
• α: 87.15 ± 0.01°
• β: 72.93 ± 0.01°
• γ: 64.82 ± 0.01°
• Cell volume: 1273.2 ± 0.2 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: 0.0491
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for all reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.0659
• Goodness-of-fit parameter for all reflections: 0.953
• Goodness-of-fit parameter for significantly intense reflections: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No