Information card for entry 4330965

Structure parameters

• Formula: C15 H10 N O5 Re
• Calculated formula: C15 H10 N O5 Re
• SMILES: [Re]1(OC2=CC=CC=CC2=[O]1)(C#[O])([n]1ccccc1)(C#[O])C#[O]
• Title of publication: Coordinated Aqua vs Methanol Substitution Kinetics in fac-Re(I) Tricarbonyl Tropolonato Complexes
• Authors of publication: Marietjie Schutte; Andreas Roodt; Hendrik G. Visser
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 11996 - 12006
• a: 16.349 ± 0.005 Å
• b: 6.89 ± 0.005 Å
• c: 14.239 ± 0.005 Å
• α: 90 ± 0.005°
• β: 114.39 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1460.8 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0329
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0406
• Weighted residual factors for all reflections included in the refinement: 0.0438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No