Information card for entry 4065203

Structure parameters

• Formula: C66 H67 Fe2 P3 Re
• Calculated formula: C66 H67 Fe2 P3 Re
• SMILES: [Re]12[P]([c]34[Fe]56789%10%11([c]3([cH]7[cH]6[cH]45)[C@H]([P]1(C1CCCCC1)[C@@H]([c]13[Fe]4567%12%13%14([c]1([P]2(c1ccccc1)c1ccccc1)[cH]4[cH]5[cH]36)[cH]1[cH]7[cH]%12[cH]%13[cH]%141)C)C)[cH]1[cH]8[cH]9[cH]%10[cH]%111)(c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Rhenium Complexes Containing the Chiral Tridentate Ferrocenyl Ligand Pigiphos
• Authors of publication: Mejía, Esteban; Togni, Antonio
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 17
• Pages of publication: 4765
• a: 9.7567 ± 0.0013 Å
• b: 17.805 ± 0.002 Å
• c: 31.703 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5507.4 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1359
• 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