Information card for entry 4322935

Structure parameters

• Common name: [Fe(C5Me4StBu)2][Pt(mnt)2]
• Formula: C34 H42 Fe N4 Pt S6
• Calculated formula: C34 H42 Fe N4 Pt S6
• SMILES: [c]12([c]3([c]4([c]5([Fe]6789134([c]1([c]6([c]7([c]8([c]91C)C)C)C)SC(C)(C)C)[c]25C)C)C)C)SC(C)(C)C.[Pt]12(SC(=C(S1)C#N)C#N)SC(=C(S2)C#N)C#N
• Title of publication: Charge-Transfer Salts of Octamethylferrocenyl Thioethers and [M(mnt)2]- Complexes (M = Ni, Co, Pt). Synthesis, Structure, and Physical Properties
• Authors of publication: Stefan Zürcher; Volker Gramlich; Dieter von Arx; Antonio Togni
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 4015 - 4021
• a: 9.591 ± 0.004 Å
• b: 9.681 ± 0.003 Å
• c: 11.252 ± 0.002 Å
• α: 78.17 ± 0.02°
• β: 78.47 ± 0.03°
• γ: 77.38 ± 0.03°
• Cell volume: 984.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections: 0.1008
• Weighted residual factors for significantly intense reflections: 0.1006
• Goodness-of-fit parameter for all reflections: 1.071
• Goodness-of-fit parameter for significantly intense reflections: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No