Information card for entry 7004407

Structure parameters

• Formula: C82 H116 Cl4 Fe4 N2 O2 Pt
• Calculated formula: C82 H116 Cl4 Fe4 N2 O2 Pt
• SMILES: C(#C[c]12[cH]3[Fe]4567891([cH]1[cH]4[cH]5[cH]6[cH]71)[cH]2[cH]8[cH]39)[Pt](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[Fe]4567891([cH]1[cH]4[cH]7[cH]8[cH]91)[cH]2[cH]5[cH]36)C#C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82.[N+](CCCC)(CCCC)(CCCC)CCCC.O.C(Cl)Cl.[N+](CCCC)(CCCC)(CCCC)CCCC.O.C(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: 12.632 ± 0.0007 Å
• b: 13.278 ± 0.0005 Å
• c: 13.576 ± 0.0008 Å
• α: 81.272 ± 0.003°
• β: 63.866 ± 0.002°
• γ: 70.778 ± 0.003°
• Cell volume: 1930.25 ± 0.18 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No