Information card for entry 7004405

Structure parameters

• Common name: s73
• Formula: C34 H32 Cl6 Fe2 Pt
• Calculated formula: C34 H32 Cl6 Fe2 Pt
• SMILES: [CH]12=[CH]3CC[CH]4=[CH](CC1)[Pt]234(C#C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)C#C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Complexes of platinum(ii) containing ferrocenylethynyl ligands: synthesis, characterization and spectroscopic and electrochemical properties
• Authors of publication: Díez, Álvaro; Fernández, Julio; Lalinde, Elena; Moreno, M. Teresa; Sánchez, Sergio
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 36
• Pages of publication: 4926 - 4936
• a: 11.6163 ± 0.0003 Å
• b: 16.9063 ± 0.0006 Å
• c: 17.7695 ± 0.0004 Å
• α: 90°
• β: 104.5 ± 0.002°
• γ: 90°
• Cell volume: 3378.57 ± 0.17 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• 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: 0.0674
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No