Information card for entry 7107918

Structure parameters

• Formula: C29 H24 Cl3 N O3 P Re
• Calculated formula: C29 H24 Cl3 N O3 P Re
• SMILES: [Re]1(Cl)([n]2c(C3=C4CCCCC4=C([P@@]13c1ccccc1)c1ccccc1)cccc2)(C#[O])(C#[O])C#[O].C(Cl)Cl
• Title of publication: Rhenium complexes bearing phosphole-pyridine chelates: simple molecules with large chiroptical properties
• Authors of publication: Eszter Takacs; Aude Escande; Nicolas Vanthuyne; Christian Roussel; Christophe Lescop; Elisabeth Guinard; Camille Latouche; Abdou Boucekkine; Jeanne Crassous; Regis Reau; Muriel Hissler
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 6705
• a: 11.2329 ± 0.0008 Å
• b: 14.0307 ± 0.0012 Å
• c: 17.938 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2827.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No