Information card for entry 1548693

Structure parameters

• Formula: C22 H42 Br4 Cu2 N6 O2 S2
• Calculated formula: C22 H42 Br4 Cu2 N6 O2 S2
• Title of publication: Fluorescent detection of phosphate anion by a highly selective chemosensor in water
• Authors of publication: Musabbir A. Saeed; Douglas R. Powell; Md. Alamgir Hossain
• Journal of publication: Tetrahedron Letters
• Year of publication: 2010
• Journal volume: 51
• Pages of publication: 4904 - 4907
• a: 7.988 ± 0.002 Å
• b: 9.116 ± 0.003 Å
• c: 11.625 ± 0.003 Å
• α: 86.69 ± 0.006°
• β: 73.837 ± 0.014°
• γ: 80.279 ± 0.012°
• Cell volume: 801.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No