Information card for entry 4312783

Structure parameters

• Common name: [H2B(3,5-(CF3)2Pz)2]Cu(collidine)
• Formula: C18 H15 B Cu F12 N5
• Calculated formula: C18 H15 B Cu F12 N5
• SMILES: [Cu]1([n]2c(cc(cc2C)C)C)[n]2n(c(cc2C(F)(F)F)C(F)(F)F)[BH2]n2[n]1c(cc2C(F)(F)F)C(F)(F)F
• Title of publication: Blue Phosphors of Dinuclear and Mononuclear Copper(I) and Silver(I) Complexes of 3,5-Bis(trifluoromethyl)pyrazolate and the Related Bis(pyrazolyl)borate
• Authors of publication: Mohammad A. Omary; Manal A. Rawashdeh-Omary; Himashinie V. K. Diyabalanage; H. V. Rasika Dias
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8612 - 8614
• a: 8.8424 ± 0.0005 Å
• b: 15.5308 ± 0.0009 Å
• c: 16.6883 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2291.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0241
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No