Information card for entry 4338286

Structure parameters

• Formula: C10 H33 B10 I
• Calculated formula: C10 H33 B10 I
• SMILES: I[B]1234[BH]567[BH]891[BH]1%105[BH]5%116[BH]6%10([BH]%1091[B]28(CCCCC)([H]4)[H]%10)[B]15([BH]37%11[H]1)(CCCCC)[H]6
• Title of publication: Synthesis, Structural Characterization, and Reactivity Studies of 5-CF3SO3-B10H13.
• Authors of publication: Berkeley, Emily R.; Ewing, William C.; Carroll, Patrick J.; Sneddon, Larry G.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 5348 - 5358
• a: 8.9773 ± 0.0006 Å
• b: 9.171 ± 0.0006 Å
• c: 13.2526 ± 0.0009 Å
• α: 106.352 ± 0.002°
• β: 108.944 ± 0.002°
• γ: 90.169 ± 0.002°
• Cell volume: 984.89 ± 0.12 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.248
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No