Information card for entry 7105042

Structure parameters

• Formula: C16 H27 Cl Cu F6 N7 O4 P
• Calculated formula: C16 H25 Cl Cu F6 N7 O4 P
• Title of publication: A new versatile solvatochromic amino-macrocycle. From metal ions to cell sensing in solution and in the solid state.
• Authors of publication: Ambrosi, Gianluca; Ciattini, Samuele; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia; Zappia, Giovanni
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 45
• Pages of publication: 7039 - 7041
• a: 13.0142 ± 0.0004 Å
• b: 15.3286 ± 0.0004 Å
• c: 13.8234 ± 0.0005 Å
• α: 90°
• β: 117.449 ± 0.004°
• γ: 90°
• Cell volume: 2447.17 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1081
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1966
• Weighted residual factors for all reflections included in the refinement: 0.2432
• Goodness-of-fit parameter for all reflections included in the refinement: 0.843
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No