Information card for entry 4338210

Structure parameters

• Formula: C40 H63 Cd2 Cl3 N14 O15
• Calculated formula: C40 H55 Cd2 Cl3 N14 O15
• Title of publication: Modulating the Sensor Response to Halide Using NBD-Based Azamacrocycles.
• Authors of publication: Amatori, Stefano; Ambrosi, Gianluca; Borgogelli, Elisa; Fanelli, Mirco; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia; Tassoni, Aurora
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 4560 - 4569
• a: 14.3766 ± 0.001 Å
• b: 15.174 ± 0.0008 Å
• c: 15.8393 ± 0.0011 Å
• α: 62.625 ± 0.006°
• β: 63.908 ± 0.007°
• γ: 65.876 ± 0.006°
• Cell volume: 2661.7 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0821
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No