Information card for entry 7705010

Structure parameters

• Formula: C66.5 H67.5 P Pd S2
• Calculated formula: C66.5 H67.5 P Pd S2
• Title of publication: A four-parameter system for rationalising the electronic properties of transition metal-radical ligand complexes.
• Authors of publication: Mews, N. M.; Reimann, M.; Hörner, G; Kaupp, M.; Schubert, H.; Berkefeld, A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 28
• Pages of publication: 9735 - 9742
• a: 9.4361 ± 0.0007 Å
• b: 34.785 ± 0.003 Å
• c: 17.2103 ± 0.0012 Å
• α: 90°
• β: 91.871 ± 0.002°
• γ: 90°
• Cell volume: 5646 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0554
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No