Information card for entry 4300031

Structure parameters

• Formula: C17 H12 Cl5 N4 Re
• Calculated formula: C17 H12 Cl5 N4 Re
• SMILES: [Re]1(Cl)(Cl)(Cl)([n]2c(N=[N]1c1ccc(Cl)cc1)cccc2)=Nc1ccc(Cl)cc1
• 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: 9.683 ± 0.003 Å
• b: 10.898 ± 0.003 Å
• c: 11.522 ± 0.003 Å
• α: 63.67 ± 0.02°
• β: 71.24 ± 0.02°
• γ: 86.79 ± 0.02°
• Cell volume: 1026.4 ± 0.6 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: 0.0441
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for all reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.0765
• Goodness-of-fit parameter for all reflections: 1.043
• Goodness-of-fit parameter for significantly intense reflections: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No