Information card for entry 4319451

Structure parameters

• Formula: C16 H12 N2 O2.7 Pd S2
• Calculated formula: C16 H12 N2 O2.7 Pd S2
• Title of publication: Photochemical and Chemical Oxidation of α-Dimine-Dithiolene Metal Complexes: Insight into the Role of the Metal Atom
• Authors of publication: T. Matthew Cocker; Robert E. Bachman
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1550 - 1556
• a: 8.026 ± 0.003 Å
• b: 14.6 ± 0.006 Å
• c: 13.371 ± 0.003 Å
• α: 90°
• β: 101.8 ± 0.03°
• γ: 90°
• Cell volume: 1533.7 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1064
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No