Information card for entry 4078515

Structure parameters

• Formula: C32 H34 N3 O2 Re
• Calculated formula: C32 H34 N3 O2 Re
• SMILES: [Re]12(=O)(N(c3c(cc(cc3C)C)C)Cc3[n]1c(ccc3)CN2c1c(cc(cc1C)C)C)C(=O)c1ccccc1
• Title of publication: Synthesis of Oxorhenium Acetyl and Benzoyl Complexes Incorporating Diamidopyridine Ligands: Implications for the Mechanism of CO Insertion
• Authors of publication: Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 11
• Pages of publication: 4295
• a: 13.536 ± 0.005 Å
• b: 13.995 ± 0.004 Å
• c: 15.66 ± 0.006 Å
• α: 78.11 ± 0.018°
• β: 79.25 ± 0.02°
• γ: 75.795 ± 0.018°
• Cell volume: 2785.1 ± 1.7 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No