Information card for entry 7012172

Structure parameters

• Formula: C34 H32 I2 N8 Re
• Calculated formula: C34 H32 I2 N8 Re
• SMILES: [Re]12(I)(I)([n]3ccn(c3N=[N]1c1ccc(cc1)C)Cc1ccccc1)[n]1ccn(c1N=[N]2c1ccc(cc1)C)Cc1ccccc1
• 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: 10.946 ± 0.002 Å
• b: 18.79 ± 0.004 Å
• c: 17.394 ± 0.004 Å
• α: 90°
• β: 99.6 ± 0.03°
• γ: 90°
• Cell volume: 3527.4 ± 1.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections: 0.1206
• Weighted residual factors for significantly intense reflections: 0.0955
• Goodness-of-fit parameter for all reflections: 1.044
• Goodness-of-fit parameter for significantly intense reflections: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No