Information card for entry 4302604

Structure parameters

• Formula: C37 H28 N4 O10 Re2
• Calculated formula: C37 H28 N4 O10 Re2
• SMILES: [Re]12(Oc3c4c(O1)ccc1O[Re](Oc(c41)cc3)([n]1ccc(N3CCN(c4cc[n]2cc4)CC3)cc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].c1(ccccc1)C
• Title of publication: Chair-Boat Form Transformation of Piperazine-Containing Ligand toward the Preparation of Dirhenium Metallacycles
• Authors of publication: Chung-Chou Lee; Shu-Chun Hsu; Long-Li Lai; Kuang-Lieh Lu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6329 - 6331
• a: 12.619 ± 0.0002 Å
• b: 11.712 ± 0.0002 Å
• c: 24.54 ± 0.0004 Å
• α: 90°
• β: 97.341 ± 0.001°
• γ: 90°
• Cell volume: 3597.13 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No