Information card for entry 1516900

Structure parameters

• Formula: C18 H19 Cl4 N O Pt Ru S
• Calculated formula: C18 H19 Cl4 N O Pt Ru S
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Ru]16782345[c]23[Pt]([n]4c([c]12[cH]6[cH]7[cH]83)cccc4)([S](C)(C)=O)Cl.C(Cl)(Cl)Cl
• Title of publication: 2-Pyridylmetallocenes, part IV. Cycloplatination of 2-pyridyl-ferrocene, -ruthenocene and -cymantrene. Molecular structures of sigma-Pt{CpM[C5H3(2-C5H4N)]}Cl (DMSO) (M = Fe, Ru) and sigma-Pt{CpFe[C5H3(2-C5H4N)]}(acac)
• Authors of publication: Karlheinz Sunkel; Ramona Branzan; Stefan Weigand
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 399
• Pages of publication: 193 - 199
• a: 9.8621 ± 0.001 Å
• b: 10.4803 ± 0.0008 Å
• c: 11.1942 ± 0.0011 Å
• α: 100.706 ± 0.007°
• β: 96.331 ± 0.008°
• γ: 97.819 ± 0.007°
• Cell volume: 1115.33 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0473
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No