Information card for entry 7705007

Structure parameters

• Formula: C52 H77 P Pt S2
• Calculated formula: C52 H77 P Pt S2
• SMILES: [Pt]123(Sc4c(c5ccc([cH]3[cH]25)c2c(S1)c(cc(c2)C(C)(C)C)C(C)(C)C)cc(cc4C(C)(C)C)C(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: 9.8047 ± 0.0005 Å
• b: 11.4455 ± 0.0005 Å
• c: 21.248 ± 0.0009 Å
• α: 87.825 ± 0.002°
• β: 85.279 ± 0.002°
• γ: 81.634 ± 0.002°
• Cell volume: 2350.25 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0217
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections included in the refinement: 0.0407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No