Information card for entry 7106140

Structure parameters

• Formula: C16 H22 Cu I2 N4
• Calculated formula: C16 H22 Cu I2 N4
• SMILES: I[Cu]123[n]4c5ccccc5ccc4C[N]43CC[NH]1CC[NH]2CC4.[I-]
• Title of publication: Colorimetric response to anions by a “robust” copper(II) complex of a [9]aneN3 pendant arm derivative: CN? and I? selective sensing
• Authors of publication: Marta Aguado Tetilla; M. Carla Aragoni; Massimiliano Arca; Claudia Caltagirone; Carla Bazzicalupi; Andrea Bencini; Alessandra Garau; Francesco Isaia; Antonio Laguna; Vito Lippolis; Valeria Meli
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 3805
• a: 15.858 ± 0.001 Å
• b: 7.8424 ± 0.0004 Å
• c: 31.456 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3912 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.127
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 0.763
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No