Information card for entry 7012174

Structure parameters

• Formula: C33 H27 N9 O4 Re2
• Calculated formula: C33 H27 N9 O4 Re2
• SMILES: [Re]123([n]4ccccc4N=[N]1c1ccccc1)([n]1ccccc1N=[N]2c1ccccc1)[n]1ccccc1N=[N]3c1ccccc1.[Re](=O)(=O)(=O)[O-]
• 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: 12.876 ± 0.01 Å
• b: 22.313 ± 0.01 Å
• c: 10.938 ± 0.006 Å
• α: 90°
• β: 90.08 ± 0.06°
• γ: 90°
• Cell volume: 3143 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for all reflections: 0.116
• Weighted residual factors for significantly intense reflections: 0.0557
• Goodness-of-fit parameter for all reflections: 1.171
• Goodness-of-fit parameter for significantly intense reflections: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No