Information card for entry 4350787

Structure parameters

• Chemical name: (μ3-Hydroxo)-(μ2-hydroxo)-tris(μ2-4-(2-(1-naphthyl)ethynyl)phenylboronato) -bis(μ2-oxo)-tris(η5-pentamethyl-cyclopentadienyl)-tri-tantalum toluene solvate dihydrate
• Formula: C98 H100 B3 O12 Ta3
• Calculated formula: C118 H126 B3 O12 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: 10.0015 ± 0.0012 Å
• b: 32.004 ± 0.004 Å
• c: 26.426 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8458.6 ± 1.8 ų
• Number of distinct elements: 5
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.0584
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No