Information card for entry 4082350

Structure parameters

• Formula: C88 H67 Cl4 N4 O12 Re4 Se4
• Calculated formula: C88 H67 Cl4 N4 O12 Re4 Se4
• 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: 27.1459 ± 0.0007 Å
• b: 10.9151 ± 0.0002 Å
• c: 30.7886 ± 0.0009 Å
• α: 90°
• β: 111.97 ± 0.003°
• γ: 90°
• Cell volume: 8460.2 ± 0.4 ų
• Cell temperature: 150.4 ± 0.6 K
• Ambient diffraction temperature: 150.4 ± 0.6 K
• Number of distinct elements: 7
• 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: 0.0519
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No