Information card for entry 7106139

Structure parameters

• Formula: C17 H23 B Cu F4 N5 O0.5
• Calculated formula: C17 H22 B Cu F4 N5 O0.5
• 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: 6.9541 ± 0.0006 Å
• b: 9.935 ± 0.001 Å
• c: 14.552 ± 0.001 Å
• α: 84.396 ± 0.008°
• β: 80.834 ± 0.008°
• γ: 82.115 ± 0.008°
• Cell volume: 980.2 ± 0.15 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1213
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No