Information card for entry 4316810

Structure parameters

• Formula: C16 H11 N4 O3 Re
• Calculated formula: C16 H11 N4 O3 Re
• SMILES: [Re]1(C#[O])([n]2c(c3[n]1cccc3)cccc2)(n1ccnc1)(C#[O])C#[O]
• Title of publication: Organometallic Complexes with Terminal Imidazolato Ligands and Their Use as Metalloligands
• Authors of publication: Eva Gómez; Miguel Ángel Huertos; Julio Pérez; Lucía Riera; Amador Menéndez-Velázquez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9527 - 9534
• a: 7.78 Å
• b: 7.94 Å
• c: 12.646 Å
• α: 91.41°
• β: 100.55°
• γ: 91.31°
• Cell volume: 767.448 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No