Information card for entry 2222933

Structure parameters

• Chemical name: Aquabis(triphenylphosphine-κ<i>P</i>)copper(I) tetrafluoridoborate
• Formula: C36 H32 B Cu F4 O P2
• Calculated formula: C36 H32 B Cu F4 O P2
• Title of publication: Aquabis(triphenylphosphine-κ<i>P</i>)copper(I) tetrafluoridoborate
• Authors of publication: Dai, Yanfeng; Zhang, Yi; Tian, Jianwen; Liu, Zhen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m1001
• a: 13.9737 ± 0.0014 Å
• b: 12.4258 ± 0.0011 Å
• c: 19.4276 ± 0.0018 Å
• α: 90°
• β: 94.521 ± 0.001°
• γ: 90°
• Cell volume: 3362.8 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.1411
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.2016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes