Information card for entry 2200206

Structure parameters

• Common name: ferrocenediylphosphinoplatinum
• Chemical name: [Ferrocene-1,1'-diylbis(diphenylphosphine-P)](3,4-toluenethio)platinum(II) dichloromethane solvate
• Formula: C42 H36 Cl2 Fe P2 Pt S2
• Calculated formula: C42 H36 Cl2 Fe P2 Pt S2
• SMILES: [Pt]12(Sc3cc(ccc3S1)C)[P](c1ccccc1)(c1ccccc1)[c]13[Fe]([cH]14)([cH]31)([cH]13)([cH]34)([cH]13)([cH]14)([cH]31)([cH]13)[c]34[P]2(c1ccccc1)c1ccccc1.ClCCl
• Title of publication: [Ferrocene-1,1'-diylbis(diphenylphosphine-<i>P</i>)](toluene-3,4-dithiolato)platinum(II) dichloromethane solvate
• Authors of publication: Bacsa, John; Darkwa, James; Maisela, Letladi L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: m109 - m110
• a: 14.539 ± 0.001 Å
• b: 14.55 ± 0.001 Å
• c: 17.85 ± 0.001 Å
• α: 90°
• β: 94.55 ± 0.001°
• γ: 90°
• Cell volume: 3764.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes