Information card for entry 7011754

Structure parameters

• Formula: C9 H32 B18 Ni O
• Calculated formula: C9 H32 B18 Ni O
• Title of publication: Formation of new nickel-containing nineteen-vertex metallaborane clusters prepared from the anti-B18H22 borane cluster: molecular structures of [Ni(THF)4(H2O)2][B18H20Ni(η5-C5H5)]2 and [B18H19(2-THF)Ni(η5-C5H5)]
• Authors of publication: Taylor, Jesse W.; Englich, Ulrich; Ruhlandt-Senge, Karin; Spencer, James T.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 17
• Pages of publication: 3392
• a: 7.4517 ± 0.0001 Å
• b: 19.9456 ± 0.0002 Å
• c: 14.9108 ± 0.0002 Å
• α: 90°
• β: 98.328 ± 0.001°
• γ: 90°
• Cell volume: 2192.8 ± 0.05 ų
• Cell temperature: 92 ± 2 K
• Ambient diffraction temperature: 92 ± 2 K
• Number of distinct elements: 5
• 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: 0.0373
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No