Information card for entry 7153430

Structure parameters

• Formula: C15 H32 B Na O8
• Calculated formula: C15 H32 B Na O8
• SMILES: C1C[O]2CC[O]3CC[O]5CC[O]6CC[O]4CC[O]1[Na]23456[O]=C(OCC)[BH3]
• 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: 8.4146 ± 0.0002 Å
• b: 18.1567 ± 0.0004 Å
• c: 13.8651 ± 0.0004 Å
• α: 90°
• β: 105.663 ± 0.003°
• γ: 90°
• Cell volume: 2039.67 ± 0.09 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No