Information card for entry 4303240

Structure parameters

• Formula: C36 H36 B2 Cu F8 N6
• Calculated formula: C36 H36 B2 Cu F8 N6
• SMILES: [Cu]12345[N]6(Cc7[n]3c3c(cc7)cccc3)CC[N]4(Cc3[n]2c2ccccc2cc3)CC[N]5(CC6)Cc2[n]1c1c(cccc1)cc2.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Synthesis and Coordination Properties of Quinoline Pendant Arm Derivatives of [9]aneN3 and [9]aneN2S as Fluorescent Zinc Sensors
• Authors of publication: Marta Mameli; M. Carla Aragoni; Massimiliano Arca; Marta Atzori; Andrea Bencini; Carla Bazzicalupi; Alexander J. Blake; Claudia Caltagirone; Francesco A. Devillanova; Alessandra Garau; Michael B. Hursthouse; Francesco Isaia; Vito Lippolis; Barbara Valtancoli
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9236 - 9249
• a: 12.23 ± 0.001 Å
• b: 12.329 ± 0.001 Å
• c: 13.398 ± 0.002 Å
• α: 72.44 ± 0.01°
• β: 79.33 ± 0.01°
• γ: 64.77 ± 0.01°
• Cell volume: 1738.6 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1728
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No