Information card for entry 7109901

Structure parameters

• Formula: C54 H46 Cd2 Cl4 N6
• Calculated formula: C54 H46 Cd2 Cl4 N6
• Title of publication: Mechanism of chelation enhanced fluorescence in complexes of cadmium(II), and a possible new type of anion sensor
• Authors of publication: Joseph W. Nugent; Hyunjung Lee; Hee-Seung Lee; Joseph H. Reibenspies; Robert D. Hancock
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 9749
• a: 10.591 ± 0.0004 Å
• b: 14.3562 ± 0.0006 Å
• c: 16.9432 ± 0.0007 Å
• α: 103.029 ± 0.002°
• β: 106.274 ± 0.002°
• γ: 91.596 ± 0.002°
• Cell volume: 2397.83 ± 0.17 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No