Information card for entry 7232587

Structure parameters

• Formula: C40 H30 Er2 F12 N8 O19
• Calculated formula: C40 H16 Er2 F12 N8 O19
• Title of publication: 6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−
• Authors of publication: Wan, Ke-Ke; Yu, Jie-Hui; Xu, Ji-Qing
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 19
• Pages of publication: 3086
• a: 8.6232 ± 0.001 Å
• b: 14.3867 ± 0.0016 Å
• c: 20.811 ± 0.002 Å
• α: 82.007 ± 0.004°
• β: 78.332 ± 0.004°
• γ: 89.992 ± 0.004°
• Cell volume: 2502.8 ± 0.5 ų
• Cell temperature: 258 ± 2 K
• Ambient diffraction temperature: 258 ± 2 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: 0.0894
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1815
• Weighted residual factors for all reflections included in the refinement: 0.1943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No