Information card for entry 7705013

Structure parameters

• Formula: C32 H40.5 F3 N0.5 O2 P0.5 Pt0.5 S2
• Calculated formula: C32 H40.5 F3 N0.5 O2 P0.5 Pt0.5 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: 27.474 ± 0.001 Å
• b: 29.3018 ± 0.001 Å
• c: 10.854 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8737.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No