Information card for entry 7037324

Structure parameters

• Formula: C74 H66 Cl0 Cu2 F6 N6 P4
• Calculated formula: C74 H66 Cu2 F6 N6 P4
• SMILES: [Cu]12([P](c3ccccc3)(c3ccccc3)CCCC[P]([Cu]3([P](c4ccccc4)(c4ccccc4)CCCC[P]1(c1ccccc1)c1ccccc1)[n]1ccccc1c1n3nc(c1)C(F)(F)F)(c1ccccc1)c1ccccc1)[n]1ccccc1c1n2nc(c1)C(F)(F)F
• Title of publication: Luminescent dinuclear copper(i) complexes bearing 1,4-bis(diphenylphosphino)butane and functionalized 3-(2'-pyridyl)pyrazole mixed ligands.
• Authors of publication: Chen, Jing-Lin; Guo, Zong-Hao; Yu, Hua-Guang; He, Li-Hua; Liu, Sui-Jun; Wen, He-Rui; Wang, Jin-Yun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 2
• Pages of publication: 696 - 705
• a: 19.5768 ± 0.0011 Å
• b: 22.4465 ± 0.0013 Å
• c: 31.3999 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13798.1 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1218
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No