Information card for entry 4331694

Structure parameters

• Formula: C22 H19.27 B0.36 Cl0.73 Cu0.36 N1.09 P0.73
• Calculated formula: C21.7273 H15.6364 B0.363636 Cl0.545455 Cu0.363636 N1.09091 P0.727273
• 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: 13.261 ± 0.003 Å
• b: 22.435 ± 0.005 Å
• c: 17.237 ± 0.004 Å
• α: 90°
• β: 91.299 ± 0.004°
• γ: 90°
• Cell volume: 5127 ± 2 ų
• Cell temperature: 453 ± 2 K
• Ambient diffraction temperature: 453 ± 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: 0.1089
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1652
• Weighted residual factors for all reflections included in the refinement: 0.1929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No