Information card for entry 4074735

Structure parameters

• Formula: C50 H48 Cl Fe2 N2 P2 Rh
• Calculated formula: C50 H48 Cl Fe2 N2 P2 Rh
• SMILES: [Rh]123(Cl)([P]([C@@H]([c]45[cH]6[Fe]789%10%11%124([c]5([cH]8[cH]67)[N]2=CN3[c]23[cH]4[Fe]5678%13%142([c]3([cH]5[cH]46)[C@H]([P]1(c1ccccc1)c1ccccc1)C)[cH]1[cH]7[cH]8[cH]%13[cH]%141)[cH]1[cH]%12[cH]%11[cH]%10[cH]91)C)(c1ccccc1)c1ccccc1)C
• Title of publication: A Novel Chiral Ferrocene-Based Amidine/Amidinato Ligand and Its Rhodium Complexes
• Authors of publication: Bertogg, Andreas; Togni, Antonio
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 3
• Pages of publication: 622 - 630
• a: 30.0424 ± 0.0018 Å
• b: 11.6907 ± 0.0007 Å
• c: 17.6982 ± 0.001 Å
• α: 90°
• β: 121.906 ± 0.001°
• γ: 90°
• Cell volume: 5276.8 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.2103
• Weighted residual factors for all reflections included in the refinement: 0.2205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No