Information card for entry 2009241

Structure parameters

• Chemical name: Trichloro(phenylimido)(1,1'-bis(diphenylphosphino)ferrocene)rhenium(V)
• Formula: C41 H35 Cl5 Fe N P2 Re
• Calculated formula: C41 H35 Cl5 Fe N P2 Re
• SMILES: [Re]1(Cl)(Cl)(Cl)([P](c2ccccc2)(c2ccccc2)[c]23[Fe]([cH]24)([cH]32)([cH]23)([cH]34)([cH]23)([cH]24)([cH]32)([cH]23)[c]34[P]1(c1ccccc1)c1ccccc1)=Nc1ccccc1.ClCCl
• Title of publication: [1,1'-Bis(diphenylphosphino)ferrocene]trichloro(phenylimido)rhenium(V) dichloromethane solvate
• Authors of publication: Lee, Soon W.; Choi, Nam-Sun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 2018 - 2020
• a: 11.093 ± 0.002 Å
• b: 21.665 ± 0.004 Å
• c: 16.823 ± 0.005 Å
• α: 90°
• β: 104.404 ± 0.018°
• γ: 90°
• Cell volume: 3916 ± 1.6 ų
• Cell temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No