Information card for entry 4345801

Structure parameters

• Formula: C25 H23 N4 O3 Re
• Calculated formula: C25 H23 N4 O3 Re
• Title of publication: Interligand C-C Coupling between α-Methyl N-Heterocycles and bipy or phen at Rhenium Tricarbonyl Complexes.
• Authors of publication: Arévalo, Rebeca; Riera, Lucía; Pérez, Julio
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 4249 - 4252
• a: 10.5338 ± 0.0001 Å
• b: 14.2032 ± 0.0002 Å
• c: 15.2605 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2283.18 ± 0.05 ų
• Cell temperature: 130 ± 0.1 K
• Ambient diffraction temperature: 130 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0246
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No