Information card for entry 7053344

Structure parameters

• Formula: C15 H20 Cl Fe N O2 Pt S
• Calculated formula: C15 H20 Cl Fe N O2 Pt S
• SMILES: [Pt]1([c]23[Fe]456789%10([cH]%11[cH]4[cH]5[cH]6[cH]7%11)[cH]2[cH]8[cH]9[c]3%10C=[N]1CCO)(Cl)[S](=O)(C)C
• Title of publication: Influence of the substituent R1 on the reactivity of [(η5-C5H5)Fe{(η5-C5H4)‒CHN‒(R1)‒OH}] {R1 = ‒CH2‒CH2‒ or 1,2-C6H4} with platinum(ii) and on the properties of the complexes
• Authors of publication: López, Concepción; Pérez, Sonia; Solans, Xavier; Font-Bardía, Mercè; Calvet, Teresa
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 4
• Pages of publication: 676
• a: 9.841 ± 0.005 Å
• b: 10.09 ± 0.004 Å
• c: 10.239 ± 0.004 Å
• α: 82.85 ± 0.03°
• β: 61.73 ± 0.02°
• γ: 76.85 ± 0.03°
• Cell volume: 871.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0305
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No