Information card for entry 7153426

Structure parameters

• Formula: C18 H35 B K N3 O7
• Calculated formula: C18 H35 B K N3 O7
• SMILES: C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]6CC[O]1[K]123456[O]=C(NCCc2c[nH]cn2)[BH2][H]1
• 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: 8.5561 ± 0.0002 Å
• b: 15.6585 ± 0.0004 Å
• c: 17.715 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2373.38 ± 0.1 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No