Information card for entry 4313427

Structure parameters

• Formula: C36 H33 Cl2 Cr N O3 P Rh
• Calculated formula: C36 H33 Cl2 Cr N O3 P Rh
• SMILES: [Cr]12345([c]6([c]1(Cl)[cH]2[cH]3[cH]4[cH]56)C(Nc1ccccc1)[P]([Rh]123(Cl)[CH]4=[CH]1CC[CH]2=[CH]3CC4)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Rh(I) Coordination Chemistry of Chiral α-Aminophosphine(η6-arene)chromium Tricarbonyl Ligands
• Authors of publication: Jean-Michel Camus; Jacques Andrieu; Rinaldo Poli; Philippe Richard; Clara Baldoli; Stefano Maiorana
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2384 - 2390
• a: 11.9308 ± 0.0003 Å
• b: 12.4015 ± 0.0003 Å
• c: 12.5645 ± 0.0003 Å
• α: 68.8459 ± 0.0015°
• β: 89.4389 ± 0.0017°
• γ: 76.4489 ± 0.0016°
• Cell volume: 1679.76 ± 0.07 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0801
• 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