Information card for entry 7037149

Structure parameters

• Formula: C46 H58 Br2 Cu2 P2
• Calculated formula: C46 H58 Br2 Cu2 P2
• Title of publication: Unusual borane addition to conjugated dienylphosphanes under frustrated Lewis pair conditions.
• Authors of publication: Krupski, Sergei; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 6111 - 6117
• a: 11.3422 ± 0.0005 Å
• b: 13.9434 ± 0.0007 Å
• c: 15.1495 ± 0.0007 Å
• α: 81.832 ± 0.002°
• β: 71.968 ± 0.002°
• γ: 76.313 ± 0.002°
• Cell volume: 2207.35 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.036
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No