Information card for entry 4082347

Structure parameters

• Formula: C62 H48 N4 O14 Re4 Se4
• Calculated formula: C62 H48 N4 O14 Re4 Se4
• SMILES: C([Re]12(C#[O])([n]3ccc(cc3)c3cc[n](cc3)[Re]3(C#[O])(C#[O])([Se](c4ccccc4)[Re](C#[O])(C#[O])(C#[O])([n]4ccc(c5cc[n](cc5)[Re]([Se]1c1ccccc1)(C#[O])(C#[O])(C#[O])[Se]2c1ccccc1)cc4)[Se]3c1ccccc1)C#[O])C#[O])#[O].CC(=O)C.CC(=O)C
• Title of publication: Self-Assembly of Selenium-Bridged Rhenium(I)-Based Metalla Rectangles: Synthesis, Characterization, and Molecular Recognition Studies
• Authors of publication: Manimaran, Bala.; Vanitha, A.; Karthikeyan, M.; Ramakrishna, Buthanapalli; Mobin, Shaikh M.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 2
• Pages of publication: 465
• a: 20.018 ± 0.002 Å
• b: 24.33 ± 0.003 Å
• c: 15.287 ± 0.002 Å
• α: 90°
• β: 117.706 ± 0.016°
• γ: 90°
• Cell volume: 6591.7 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections included in the refinement: 0.0391
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No