Information card for entry 4303247

Structure parameters

• Formula: C26 H28 N6 O6 S Zn
• Calculated formula: C26 H28 N6 O6 S Zn
• SMILES: c12ccccc1ccc1C[N]34CC[S]5CC[N]6(CC3)Cc3ccc7ccccc7[n]3[Zn]456([n]21)ON(=O)=O.N(=O)(=O)[O-]
• 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: 11.1654 ± 0.0003 Å
• b: 15.2985 ± 0.0004 Å
• c: 15.5541 ± 0.0004 Å
• α: 88.799 ± 0.002°
• β: 83.436 ± 0.002°
• γ: 89.75 ± 0.002°
• Cell volume: 2638.85 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0981
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.202
• Weighted residual factors for all reflections included in the refinement: 0.2244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No