Information card for entry 7239836

Structure parameters

• Formula: C6 H16 N2 O7 P2 Zn
• Calculated formula: C6 H16 N2 O7 P2 Zn
• Title of publication: A dual-function metal phosphate for high proton conduction and selective luminescence turn-on sensing of Co2+ ions
• Authors of publication: Zhou, Shufang; wu, guomei; Lin, Tian; Zhang, Chenxi; Wang, Qing-Lun
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 8.3178 ± 0.0002 Å
• b: 8.9144 ± 0.0002 Å
• c: 8.987 ± 0.0003 Å
• α: 64.183 ± 0.003°
• β: 86.148 ± 0.002°
• γ: 78.931 ± 0.002°
• Cell volume: 588.6 ± 0.03 ų
• Cell temperature: 299.6 ± 0.3 K
• Ambient diffraction temperature: 299.6 ± 0.3 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: 0.0326
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No