Information card for entry 4300029

Structure parameters

• Formula: C11 H8 Cl4 N3 O Re
• Calculated formula: C11 H8 Cl4 N3 O Re
• SMILES: [Re]1(Cl)(Cl)(Cl)(=O)[n]2c(N=[N]1c1ccc(Cl)cc1)cccc2
• Title of publication: Chemistry of the Rhenium-Azopyridine Family: An Oxo Parent and Derivatives Thereof Including a Novel Oxo-Imido Dimer
• Authors of publication: Sangeeta Banerjee; Sibaprasad Bhattacharyya; Bimal Kumar Dirghangi; Mahua Menon; Animesh Chakravorty
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 6 - 13
• a: 7.118 ± 0.004 Å
• b: 8.537 ± 0.004 Å
• c: 13.231 ± 0.009 Å
• α: 79.16 ± 0.05°
• β: 78.03 ± 0.05°
• γ: 70.96 ± 0.04°
• Cell volume: 737.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for all reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.0783
• Goodness-of-fit parameter for all reflections: 1.11
• Goodness-of-fit parameter for significantly intense reflections: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No