Information card for entry 7004406

Structure parameters

• Common name: s99
• Formula: C58 H46 Fe3 P2 Pt
• Calculated formula: C58 H46 Fe3 P2 Pt
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]1[Fe]17892456[c]2([cH]1[cH]7[cH]8[cH]92)[P](c1ccccc1)(c1ccccc1)[Pt](C#C[c]12[cH]4[cH]5[cH]6[cH]1[Fe]17892456[cH]2[cH]9[cH]8[cH]7[cH]12)(C#C[c]12[cH]4[cH]5[cH]6[cH]1[Fe]17892456[cH]2[cH]1[cH]7[cH]8[cH]92)[P]3(c1ccccc1)c1ccccc1
• 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: 10.0422 ± 0.0001 Å
• b: 18.2488 ± 0.0005 Å
• c: 25.2322 ± 0.0007 Å
• α: 90°
• β: 98.312 ± 0.002°
• γ: 90°
• Cell volume: 4575.43 ± 0.19 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No