Information card for entry 4077445

Structure parameters

• Common name: triniobocene cation
• Formula: C74 H45 B2 F25 Nb3
• Calculated formula: C74 H44.99 B2 F25 Nb3
• Title of publication: Formation of Triniobocene Cationic and Neutral Mononiobocene Species as a Function of Solvent in the Reaction of Cp2Nb{(μ-H)2BR2} (R2= C4H8, C5H10, C8H14) with B(C6F5)3
• Authors of publication: Liu, Shengming; Liu, Fu-Chen; Renkes, Gordon; Shore, Sheldon G.
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 26
• Pages of publication: 5717
• a: 19.5356 ± 0.001 Å
• b: 13.2679 ± 0.001 Å
• c: 51.3778 ± 0.001 Å
• α: 90°
• β: 98.857 ± 0.01°
• γ: 90°
• Cell volume: 13158.1 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No