Information card for entry 7106743

Structure parameters

• Formula: C54 H49 B2 Cu2 F8 N4 O P3
• Calculated formula: C54 H49 B2 Cu2 F8 N4 O P3
• SMILES: [Cu]123([Cu]([n]4c([P]2(c2ccccc2)c2ccccc2)cccc4)([n]2c([P]1(c1ccccc1)c1ccccc1)cccc2)[n]1c([P]3(c2ccccc2)c2ccccc2)cccc1)[N]#CC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].OC
• Title of publication: Methanol triggered ligand flip isomerization in a binuclear copper(I) complex and the luminescence response
• Authors of publication: Yang-Juan Li; Zhi-Ying Deng; Xue-Fei Xu; Hua-Bin Wu; Ze-Xing Cao; Quan-Ming Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 9179
• a: 11.4057 ± 0.0005 Å
• b: 12.5265 ± 0.0005 Å
• c: 20.1978 ± 0.0008 Å
• α: 75.491 ± 0.001°
• β: 89.626 ± 0.001°
• γ: 66.936 ± 0.001°
• Cell volume: 2556.76 ± 0.18 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No