Information card for entry 7119606

Structure parameters

• Formula: C17 H39 B11 N2 O3 S
• Calculated formula: C17 H39 B11 N2 O3 S
• Title of publication: Synthesis and full characterization of an iridium B-H activation intermediate of the monocarba-closo-dodecaborate anion.
• Authors of publication: Shen, Yunjun; Pan, Yani; Liu, Jiyong; Sattasathuchana, Tosaporn; Baldridge, Kim K.; Duttwyler, Simon
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 176 - 179
• a: 11.704 ± 0.0008 Å
• b: 18.1966 ± 0.0009 Å
• c: 13.7408 ± 0.0007 Å
• α: 90°
• β: 105.421 ± 0.007°
• γ: 90°
• Cell volume: 2821.1 ± 0.3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.0897
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No