Information card for entry 7705014

Structure parameters

• Formula: C52 H59 P Pt S2
• Calculated formula: C52 H59 P Pt S2
• SMILES: [Pt]123(Sc4c(c5ccc([cH]2[cH]35)c2c(S1)c(C(C)(C)C)cc(c2)C(C)(C)C)cc(C(C)(C)C)cc4C(C)(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 11.4924 ± 0.0003 Å
• b: 13.2351 ± 0.0004 Å
• c: 15.96 ± 0.0005 Å
• α: 106.179 ± 0.002°
• β: 94.527 ± 0.002°
• γ: 99.208 ± 0.002°
• Cell volume: 2281.76 ± 0.12 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No