Information card for entry 7012171

Structure parameters

• Formula: C22 H24 Cl2 N8 Re
• Calculated formula: C22 H24 Cl2 N8 Re
• SMILES: [Re]12(Cl)(Cl)([n]3ccn(c3N=[N]1c1ccc(cc1)C)C)[n]1ccn(c1N=[N]2c1ccc(cc1)C)C
• 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: 28.74 ± 0.016 Å
• b: 13.454 ± 0.004 Å
• c: 13.427 ± 0.005 Å
• α: 90°
• β: 110.86 ± 0.04°
• γ: 90°
• Cell volume: 4851 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections: 0.1297
• Weighted residual factors for significantly intense reflections: 0.1049
• Goodness-of-fit parameter for all reflections: 0.921
• Goodness-of-fit parameter for significantly intense reflections: 0.868
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No