Information card for entry 4303241

Structure parameters

• Formula: C36 H36 B2 F8 N6 Zn
• Calculated formula: C36 H36 B2 F8 N6 Zn
• SMILES: [Zn]12345[N]6(CC[N]3(CC[N]5(CC6)Cc3[n]1c1c(cc3)cccc1)Cc1[n]4c3c(cc1)cccc3)Cc1[n]2c2c(cc1)cccc2.[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: 12.1942 ± 0.0013 Å
• b: 12.5107 ± 0.0013 Å
• c: 13.1203 ± 0.0014 Å
• α: 73.026 ± 0.002°
• β: 79.848 ± 0.002°
• γ: 62.756 ± 0.002°
• Cell volume: 1699.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0387
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No