Information card for entry 4111694

Structure parameters

• Common name: [3,5-(CF3)2Pz]3
• Formula: C15 H3 Cu3 F18 N6
• Calculated formula: C15 H3 Cu3 F18 N6
• SMILES: [Cu]1n2[n]([Cu]n3[n]([Cu]n4[n]1c(cc4C(F)(F)F)C(F)(F)F)c(cc3C(F)(F)F)C(F)(F)F)c(cc2C(F)(F)F)C(F)(F)F
• Title of publication: Brightly Phosphorescent Trinuclear Copper(I) Complexes of Pyrazolates: Substituent Effects on the Supramolecular Structure and Photophysics
• Authors of publication: H. V. Rasika Dias; Himashinie V. K. Diyabalanage; Maha G. Eldabaja; Oussama Elbjeirami; Manal A. Rawashdeh-Omary; Mohammad A. Omary
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 7489 - 7501
• a: 9.1553 ± 0.0004 Å
• b: 11.3906 ± 0.0005 Å
• c: 12.2324 ± 0.0005 Å
• α: 66.407 ± 0.001°
• β: 74.453 ± 0.001°
• γ: 78.547 ± 0.001°
• Cell volume: 1120.21 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No