Information card for entry 7153429

Structure parameters

• Formula: C22 H36 B K N1.5 O7
• Calculated formula: C22 H35 B K N1.5 O7
• 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: 20.6439 ± 0.0007 Å
• b: 14.6541 ± 0.0004 Å
• c: 8.4379 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2552.61 ± 0.14 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1202
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No