Information card for entry 4331690

Structure parameters

• Common name: TM14/0.5CH2Cl2
• Formula: C44.5 H38 B Cl Cu F4 N3 P2
• Calculated formula: C44.5 H37 B Cl Cu F4 N3 P2
• 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: 15.919 ± 0.004 Å
• b: 15.664 ± 0.003 Å
• c: 17.884 ± 0.004 Å
• α: 90°
• β: 109.314 ± 0.004°
• γ: 90°
• Cell volume: 4208.5 ± 1.6 ų
• Cell temperature: 571 ± 2 K
• Ambient diffraction temperature: 571 ± 2 K
• Number of distinct elements: 8
• 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: 0.1649
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.1974
• Weighted residual factors for all reflections included in the refinement: 0.2377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No