Information card for entry 7045232

Structure parameters

• Chemical name: 8-pyridine-nido-decaborano-[5',6':6,7]-nido-decaborane
• Formula: C10 H30 B18 N2
• Calculated formula: C10 H30 B18 N2
• SMILES: [BH]1234[BH]567[BH]891[BH]1%102[BH]2%119[BH]978[B]78%126([B]6%1335([BH]34%10[BH]12([H]%11)[H]3)[BH]127[BH]348[BH]571[BH]162[BH]27([BH]45([B]%123[n]3ccccc3)[H]2)[B]%131[n]1ccccc1)[H]9
• Title of publication: Substitution of the laser borane anti-B₁₈H₂₂ with pyridine: a structural and photophysical study of some unusually structured macropolyhedral boron hydrides.
• Authors of publication: Londesborough, Michael G. S.; Dolanský, Jiří; Jelínek, Tomáš; Kennedy, John D.; Císařová, Ivana; Kennedy, Robert D.; Roca-Sanjuán, Daniel; Francés-Monerris, Antonio; Lang, Kamil; Clegg, William
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 5
• Pages of publication: 1709 - 1725
• a: 9.5876 ± 0.0008 Å
• b: 10.6882 ± 0.0008 Å
• c: 11.4414 ± 0.001 Å
• α: 73.923 ± 0.005°
• β: 77.187 ± 0.005°
• γ: 88.805 ± 0.004°
• Cell volume: 1097.51 ± 0.16 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 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: 0.0433
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No