Information card for entry 4346611

Structure parameters

• Formula: C24 H23 Br0.04 N4.96 O9.88 Zn
• Calculated formula: C24 H23 Br0.041 N4.959 O9.877 Zn
• Title of publication: Controlling the Fluorescence Response of PET Sensors via the Metal-Ion π-Contacting Ability of the Fluorophore: Coumarin, a Weaker π Contacter.
• Authors of publication: Nugent, Joseph W.; Reibenspies, Joseph H.; Hancock, Robert D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 20
• Pages of publication: 9976 - 9988
• a: 7.8979 ± 0.0003 Å
• b: 8.45 ± 0.0004 Å
• c: 19.2843 ± 0.0008 Å
• α: 81.422 ± 0.002°
• β: 87.89 ± 0.002°
• γ: 75.316 ± 0.002°
• Cell volume: 1231.02 ± 0.09 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.1171
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No