Information card for entry 7153428

Structure parameters

• Formula: C17 H35 B N Na O8
• Calculated formula: C17 H35 B N Na O8
• SMILES: [Na]1234[O]5CCOCC[O]1CC[O]2CC[O]3CC[O]4CC5.C(=O)([BH3])N1CCOCC1
• Title of publication: Syntheses, structural characterization and CO releasing properties of boranocarbonate [H3BCO2H]- derivatives.
• Authors of publication: Pitchumony, Tamil Selvi; Spingler, Bernhard; Motterlini, Roberto; Alberto, Roger
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 21
• Pages of publication: 4849 - 4854
• a: 8.0562 ± 0.0003 Å
• b: 18.4484 ± 0.0006 Å
• c: 15.3958 ± 0.0006 Å
• α: 90°
• β: 100.588 ± 0.003°
• γ: 90°
• Cell volume: 2249.23 ± 0.14 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• 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: 0.0589
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No