Information card for entry 7235866

Structure parameters

• Formula: C29 H28 Cl F6 N5 O3 P Zn
• Calculated formula: C29 H28 Cl F6 N5 O3 P Zn
• Title of publication: A Mononuclear Zinc Complex for Selective Detection of Diphosphate <i>via</i> Fluorescence ESIPT Turn-On.
• Authors of publication: Wang, Junfeng; Chen, Weihua; Liu, Xiumin; Wesdemiotis, Chrys; Pang, Yi
• Journal of publication: Journal of materials chemistry. B
• Year of publication: 2014
• Journal volume: 2
• Journal issue: 21
• Pages of publication: 3349 - 3354
• a: 17.9746 ± 0.0013 Å
• b: 8.2125 ± 0.0006 Å
• c: 21.4102 ± 0.0015 Å
• α: 90°
• β: 91.692 ± 0.001°
• γ: 90°
• Cell volume: 3159.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No