Information card for entry 7027728

Structure parameters

• Formula: C72 H88 B2 Ba O14
• Calculated formula: C72 H88 B2 Ba O14
• Title of publication: Tetraphenoxoborate complexes of barium: crystal structures of the metalloborates [Ba(thf )4{B(OPh)4}2] and [Ba(dme)2{B(OPh)4}2] †
• Authors of publication: Errington, R. John; Tombul, Mustafa; Walker, Gary L. P.; Clegg, William; Heath, Sarah L.; Horsburgh, Lynne
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 20
• Pages of publication: 3533
• a: 11.0751 ± 0.0009 Å
• b: 11.7693 ± 0.001 Å
• c: 13.5004 ± 0.0011 Å
• α: 104.461 ± 0.002°
• β: 104.083 ± 0.002°
• γ: 93.135 ± 0.002°
• Cell volume: 1640.2 ± 0.2 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for all reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.0783
• Goodness-of-fit parameter for all reflections: 1.076
• Goodness-of-fit parameter for significantly intense reflections: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No