Information card for entry 7044399

Structure parameters

• Formula: C20 H32 Cl2 N2 O4 P Rh
• Calculated formula: C20 H32 Cl2 N2 O4 P Rh
• SMILES: [Rh](Cl)([P]1([C@@]2(O[C@]3(O[C@@](C2)(O[C@@]1(C3)C)C)C)C)N1[C@@H]2C([C@]([NH+]=C1)(CC2)C)(C)C)(Cl)C#[O]
• Title of publication: Amidine functionalized phosphines: tuneable ligands for transition metals
• Authors of publication: Newman, Paul David; Melen, Rebecca; Platts, James A.; Wilkins, Lewis
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 20.8539 ± 0.0005 Å
• b: 12.8581 ± 0.0003 Å
• c: 22.0217 ± 0.0006 Å
• α: 90°
• β: 103.783 ± 0.003°
• γ: 90°
• Cell volume: 5734.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0254
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0547
• 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