Information card for entry 7017357

Structure parameters

• Formula: C25 H28 N3 O3 Re
• Calculated formula: C25 H28 N3 O3 Re
• SMILES: [Re]1(=O)(=O)(=O)N(c2c(cc(cc2C)C)C)Cc2[n]1c(ccc2)/C=N/c1c(cc(cc1C)C)C
• Title of publication: Synthesis and characterization of oxorhenium(v) diamido pyridine complexes that catalyze oxygen atom transfer reactions.
• Authors of publication: Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 44
• Pages of publication: 11815 - 11821
• a: 15.9434 ± 0.0013 Å
• b: 13.1771 ± 0.001 Å
• c: 11.4807 ± 0.0009 Å
• α: 90°
• β: 92.956 ± 0.004°
• γ: 90°
• Cell volume: 2408.7 ± 0.3 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.084
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No