Information card for entry 4318299

Structure parameters

• Formula: C30 H33 F6 N3 O P Pd
• Calculated formula: C30 H33 F6 N3 O P Pd
• SMILES: [Pd]12([n]3c(c4[n]2cccc4)cccc3)Oc2c(cc(cc2N1c1ccccc1)C(C)(C)C)C(C)(C)C.[P](F)(F)(F)(F)(F)[F-]
• 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: 26.3425 ± 0.0012 Å
• b: 5.7281 ± 0.0004 Å
• c: 38.538 ± 0.002 Å
• α: 90°
• β: 99.41 ± 0.01°
• γ: 90°
• Cell volume: 5736.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for all reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.0687
• Goodness-of-fit parameter for all reflections: 1.054
• Goodness-of-fit parameter for significantly intense reflections: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No