Information card for entry 7106853

Structure parameters

• Formula: C38 H40 Cl2 Fe2 N4 Pt
• Calculated formula: C38 H40 Cl2 Fe2 N4 Pt
• SMILES: C([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)CNC(c1ccccc1)=[NH][Pt](Cl)([NH]=C(c1ccccc1)NCC[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)Cl
• Title of publication: Pt(II)-activated coupling of aminoethylferrocene with benzonitrile. A facile access route to a new redox-active bis(ferrocenyl-amidine) anion sensor
• Authors of publication: Daniel Nieto; Ana Ma Gonzalez-Vadillo; Sonia Bruna; Cesar J. Pastor; Angel E. Kaifer; Isabel Cuadrado
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 10398
• a: 7.8666 ± 0.0002 Å
• b: 9.8807 ± 0.0002 Å
• c: 12.7945 ± 0.0003 Å
• α: 96.753 ± 0.001°
• β: 106.776 ± 0.001°
• γ: 111.696 ± 0.001°
• Cell volume: 856.13 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No