Information card for entry 7012173

Structure parameters

• Formula: C22 H16 Cl4 N6 Re
• Calculated formula: C22 H16 Cl4 N6 Re
• SMILES: [Re]12(Cl)(Cl)([n]3ccccc3N=[N]1c1ccc(Cl)cc1)[n]1ccccc1N=[N]2c1ccc(Cl)cc1
• Title of publication: Chemistry of monovalent and bivalent rhenium: synthesis, structure, isomer specificity and metal redox of azoheterocycle complexes
• Authors of publication: Chakraborty, Indranil; Sengupta, Suman; Das, Samir; Banerjee, Sangeeta; Chakravorty, Animesh
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 1
• Pages of publication: 134
• a: 8.532 ± 0.006 Å
• b: 22.793 ± 0.008 Å
• c: 12.417 ± 0.003 Å
• α: 90°
• β: 100.22 ± 0.04°
• γ: 90°
• Cell volume: 2376 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.104
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections: 0.1687
• Weighted residual factors for significantly intense reflections: 0.1386
• Goodness-of-fit parameter for all reflections: 1.063
• Goodness-of-fit parameter for significantly intense reflections: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No