Information card for entry 1516901

Structure parameters

• Formula: C20 H19 Fe N O2 Pt
• Calculated formula: C20 H19 Fe N O2 Pt
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]23c4cccc[n]4[Pt]4([c]12[cH]6[cH]7[cH]83)OC(=CC(=[O]4)C)C
• 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: 16.208 ± 0.0005 Å
• b: 12.3572 ± 0.0004 Å
• c: 17.5616 ± 0.0005 Å
• α: 90°
• β: 91.026 ± 0.003°
• γ: 90°
• Cell volume: 3516.77 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0347
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.0426
• Goodness-of-fit parameter for all reflections included in the refinement: 0.813
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No