Information card for entry 4082763

Structure parameters

• Formula: C80 H52 N8 O24 Re4
• Calculated formula: C80 H52 N8 O24 Re4
• SMILES: C(#[O])[Re]12(C#[O])(C#[O])N(C3C(N(Cc4ccccc4)[Re]([O]=3)(C#[O])(C#[O])(C#[O])[n]3ccc(cc3)C(=O)Oc3ccc(cc3)OC(=O)c3cc[n](cc3)[Re]3(C#[O])(C#[O])(C#[O])N(C4C(N(Cc5ccccc5)[Re](C#[O])(C#[O])(C#[O])([n]5ccc(cc5)C(=O)Oc5ccc(cc5)OC(=O)c5cc[n]1cc5)[O]=4)=[O]3)Cc1ccccc1)=[O]2)Cc1ccccc1
• Title of publication: Synthesis and Spectroscopic and Structural Characterization of Oxamidato-Bridged Rhenium(I) Supramolecular Rectangles with Ester Functionalization
• Authors of publication: Nagarajaprakash, R.; Divya, D.; Ramakrishna, Buthanapalli; Manimaran, Bala.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 6
• Pages of publication: 1367
• a: 8.5728 ± 0.0002 Å
• b: 12.9783 ± 0.0003 Å
• c: 17.8728 ± 0.0004 Å
• α: 95.6181 ± 0.0019°
• β: 95.4012 ± 0.0019°
• γ: 102.252 ± 0.002°
• Cell volume: 1920.36 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0792
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No