Information card for entry 7050511

Structure parameters

• Formula: C16 H21 Cl Fe N2 Pt
• Calculated formula: C16 H21 Cl Fe N2 Pt
• SMILES: [Pt]12([c]34[Fe]56789%10%11([cH]%12[cH]5[cH]6[cH]7[cH]8%12)[cH]3[cH]9[cH]%10[c]4%11C=[N]1CCC[N]2(C)C)Cl
• Title of publication: Synthesis, characterisation and study of the reactivity of the first platinum(II) complex having a [C(sp2, ferrocene),N,N']− terdentate ligand
• Authors of publication: Sonia Pérez; Concepción López; Amparo Caubet; Xavier Solans; Mercè Font-Bardía
• Journal of publication: New J. Chem.
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 6
• Pages of publication: 975 - 982
• a: 11.109 ± 0.005 Å
• b: 12.596 ± 0.012 Å
• c: 12.484 ± 0.005 Å
• α: 90°
• β: 110.81 ± 0.04°
• γ: 90°
• Cell volume: 1632.9 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No