Information card for entry 4325090

Structure parameters

• Formula: C78 H84 N18 O19 Zn3
• Calculated formula: C78 H84 N18 O19 Zn3
• Title of publication: Zinc(II) and PPi Selective Fluorescence OFF-ON-OFF Functionality of a Chemosensor in Physiological Conditions
• Authors of publication: I. Ravikumar; Pradyut Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4229 - 4231
• a: 15.69 ± 0.003 Å
• b: 13.955 ± 0.003 Å
• c: 21.083 ± 0.005 Å
• α: 90°
• β: 111.454 ± 0.003°
• γ: 90°
• Cell volume: 4296.4 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No