Information card for entry 7705009

Structure parameters

• Formula: C50.5 H53 B0.5 Cl2 F12 P0.5 Pt0.5 S
• Calculated formula: C50.5 H53 B0.5 Cl2 F12 P0.5 Pt0.5 S
• 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: 15.1784 ± 0.0006 Å
• b: 16.5068 ± 0.0006 Å
• c: 21.9412 ± 0.0008 Å
• α: 84.293 ± 0.002°
• β: 72.914 ± 0.002°
• γ: 71.728 ± 0.002°
• Cell volume: 4989.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No