Information card for entry 4300032

Structure parameters

• Formula: C30 H25 Cl8 N7 O2 Re2
• Calculated formula: C30 H25 Cl8 N7 O2 Re2
• SMILES: [Re]1(Cl)(Cl)(=O)([n]2c(N=[N]1c1ccc(Cl)cc1)cccc2)O[Re]1(Cl)(Cl)([n]2c(N=[N]1c1ccc(Cl)cc1)cccc2)=Nc1ccc(cc1)C.C(Cl)Cl
• 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: 12.522 ± 0.006 Å
• b: 12.857 ± 0.008 Å
• c: 13.182 ± 0.007 Å
• α: 67.75 ± 0.04°
• β: 88.3 ± 0.04°
• γ: 82.09 ± 0.04°
• Cell volume: 1944.9 ± 1.9 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: 0.0708
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections: 0.1287
• Weighted residual factors for significantly intense reflections: 0.1068
• Goodness-of-fit parameter for all reflections: 1.053
• Goodness-of-fit parameter for significantly intense reflections: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No