Information card for entry 2228319

Structure parameters

• Chemical name: Bromidotricarbonyl[4-chloro-<i>N</i>-(2-pyridylmethylidene)aniline- κ^2^<i>N</i>,<i>N'</i>]rhenium(I)
• Formula: C15 H9 Br Cl N2 O3 Re
• Calculated formula: C15 H9 Br Cl N2 O3 Re
• SMILES: [Re]1(Br)([n]2ccccc2C=[N]1c1ccc(Cl)cc1)(C#[O])(C#[O])C#[O]
• Title of publication: Bromidotricarbonyl[4-chloro-<i>N</i>-(2-pyridylmethylidene)aniline-κ^2^<i>N</i>,<i>N</i>']rhenium(I)
• Authors of publication: Khalaj, Mehdi; Dehghanpour, Saeed; Aleeshah, Roghaieh; Mahmoudi, Ali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1647
• a: 8.6559 ± 0.0008 Å
• b: 8.9037 ± 0.0008 Å
• c: 10.9442 ± 0.0009 Å
• α: 75.691 ± 0.005°
• β: 83.001 ± 0.005°
• γ: 81.808 ± 0.005°
• Cell volume: 805.65 ± 0.12 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1262
• 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: Yes