Information card for entry 1516899

Structure parameters

• Formula: C17 H18 Cl Fe N O Pt S
• Calculated formula: C17 H18 Cl Fe N O Pt S
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]23[Pt]([n]4ccccc4[c]83[cH]7[cH]6[cH]12)([S](C)(C)=O)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: 9.6637 ± 0.0007 Å
• b: 27.927 ± 0.002 Å
• c: 12.8174 ± 0.0009 Å
• α: 90°
• β: 96.645 ± 0.007°
• γ: 90°
• Cell volume: 3435.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 0.759
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No