Information card for entry 4350790

Structure parameters

• Chemical name: (μ3-Hydroxo)-(μ2-hydroxo)-tris(μ2-biphenyl-4-ylboronato) -bis(μ2-oxo)-tris(η5-pentamethyl-cyclopentadienyl)-tri-tantalum acetone solvate
• Formula: C70.5 H83 B3 O11.5 Ta3
• Calculated formula: C74.5 H83 B3 O13 Ta3
• Title of publication: On the Interaction of Acetone with Electrophilic Metallocavitands Having Extended Cavities
• Authors of publication: Christian N. Garon; Maxime Daigle; Isabelle Levesque; Philippe Dufour; Hassan Iden; Christian Tessier; Thierry Maris; Jean-François Morin; Frédéric-Georges Fontaine
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10384 - 10393
• a: 24.189 ± 0.004 Å
• b: 11.77 ± 0.002 Å
• c: 24.316 ± 0.004 Å
• α: 90°
• β: 101.937 ± 0.003°
• γ: 90°
• Cell volume: 6773 ± 2 ų
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.0514
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No