Information card for entry 4070571

Structure parameters

• Formula: C21 H28 Cl N2 O3 P2 Re
• Calculated formula: C21 H28 Cl N2 O3 P2 Re
• SMILES: [Re]1(Cl)([P@@](c2nc3ccccc3nc2[P@]1(C)C(C)(C)C)(C)C(C)(C)C)(C#[O])(C#[O])C#[O]
• Title of publication: Structures and Redox Properties of Metal Complexes of the Electron-Deficient Diphosphine Chelate LigandR,R-QuinoxP
• Authors of publication: Das, Atanu Kumar; Bulak, Ece; Sarkar, Biprajit; Lissner, Falk; Schleid, Thomas; Niemeyer, Mark; Fiedler, Jan; Kaim, Wolfgang
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 2
• Pages of publication: 218
• a: 22.692 ± 0.004 Å
• b: 11.993 ± 0.002 Å
• c: 10.439 ± 0.0015 Å
• α: 90°
• β: 104.375 ± 0.012°
• γ: 90°
• Cell volume: 2752 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0303
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No