Information card for entry 4331688

Structure parameters

• Formula: C36 H28.67 B0.67 Cu0.67 F2.67 N2 P1.33
• Calculated formula: C36 H28.6667 B0.666667 Cu0.666667 F2.66667 N2 P1.33333
• Title of publication: Phosphorescent Cu(I) Complexes of 2-(2‘-pyridylbenzimidazolyl)benzene: Impact of Phosphine Ancillary Ligands on Electronic and Photophysical Properties of the Cu(I) Complexes
• Authors of publication: McCormick, Theresa; Jia, Wen-Li; Wang, Suning
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 147 - 155
• a: 9.961 ± 0.002 Å
• b: 18.067 ± 0.003 Å
• c: 13.206 ± 0.003 Å
• α: 90°
• β: 102.72 ± 0.003°
• γ: 90°
• Cell volume: 2318.3 ± 0.8 ų
• Cell temperature: 453 ± 2 K
• Ambient diffraction temperature: 453 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1031
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No