Information card for entry 4346451

Structure parameters

• Formula: C83 H76 N9 O17 Re4
• Calculated formula: C83 H74 N9 O17 Re4
• SMILES: [Re]12(C#[O])(C#[O])(Oc3cc4N([Re](Oc4cc3N2CCCC)([n]2ccc(cc2)C=Cc2cc[n]([Re]3(C#[O])(C#[O])(C#[O])Oc4c(cc5O[Re]([n]6ccc(C=Cc7cc[n]1cc7)cc6)(C#[O])(C#[O])(N(c5c4)CCCC)C#[O])N3CCCC)cc2)(C#[O])(C#[O])C#[O])CCCC)C#[O].c12c3c4cccc3ccc2cccc1cc4.N(C=O)(C)C
• Title of publication: Synthesis, Structural Characterization, and Host-Guest Studies of Aminoquinonato-Bridged Re(I) Supramolecular Rectangles.
• Authors of publication: Govindarajan, R.; Nagarajaprakash, R.; Manimaran, Bala
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 10686 - 10694
• a: 21.9339 ± 0.0006 Å
• b: 20.4623 ± 0.0004 Å
• c: 20.0974 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9020.1 ± 0.4 ų
• Cell temperature: 153 ± 4 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1228
• 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: Yes
• Has Fobs: No