Information card for entry 4325969

Structure parameters

• Formula: C14 H9 Cl N3 O3 Re
• Calculated formula: C14 H9 Cl N3 O3 Re
• SMILES: [Re]1(Cl)(C#[O])([N](=Nc2[n]1cccc2)c1ccccc1)(C#[O])C#[O]
• Title of publication: Examples of Reductive Azo Cleavage and Oxidative Azo Bond Formation on Re2(CO)10 Template: Isolation and Characterization of Re(III) Complexes of New Azo-Aromatic Ligands
• Authors of publication: Nanda D. Paul; Subhas Samanta; Tapan K. Mondal; Sreebrata Goswami
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7886 - 7893
• a: 12.4199 ± 0.0019 Å
• b: 9.0921 ± 0.0014 Å
• c: 13.818 ± 0.002 Å
• α: 90°
• β: 102.65 ± 0.005°
• γ: 90°
• Cell volume: 1522.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No