Information card for entry 4332380

Structure parameters

• Common name: Komplex mit Zersetzungsprodukt des Esterzyklus
• Formula: C46 H54 N4 O14 Re2
• Calculated formula: C46 H54 N4 O14 Re2
• SMILES: c1c(c2O[Re]3(C#[O])(C#[O])([O](Cc2cc1C(=O)OCC)[Re]1([O]3Cc2cc(cc(c2O1)CN1CCC[N+]2CCCCCC1=2)C(=O)OCC)(C#[O])(C#[O])C#[O])C#[O])CN1CCC[N+]2CCCCCC1=2
• Title of publication: Oxacalix[3]arene Complexes with the ReI(CO)3Fragment†
• Authors of publication: Hinrichs, Matthias; Hofbauer, Florian R.; Klüfers, Peter; Suhanji, Mihael
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 6688 - 6693
• a: 9.1852 ± 0.0003 Å
• b: 9.9042 ± 0.0003 Å
• c: 15.9634 ± 0.0005 Å
• α: 82.3567 ± 0.0016°
• β: 75.3812 ± 0.0016°
• γ: 74.8731 ± 0.0014°
• Cell volume: 1353.01 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0953
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No