Information card for entry 4337697

Structure parameters

• Formula: C47 H40 B Cl2 Cu F4 N4 O P2
• Calculated formula: C47 H40 B Cl2 Cu F4 N4 O P2
• Title of publication: Regulation of the rate of dinucleation of a monocopper(i) complex containing bipyrimidine rotary units by restricted double pyrimidine rotation.
• Authors of publication: Hattori, Yohei; Nishikawa, Michihiro; Kusamoto, Tetsuro; Kume, Shoko; Nishihara, Hiroshi
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 2831 - 2840
• a: 10.8667 ± 0.0016 Å
• b: 11.8041 ± 0.0016 Å
• c: 18.376 ± 0.003 Å
• α: 72.27 ± 0.005°
• β: 84.089 ± 0.006°
• γ: 75.188 ± 0.005°
• Cell volume: 2169.7 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.2341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No