Information card for entry 7237025

Structure parameters

• Formula: C18 H17 N5 O6 Zn
• Calculated formula: C18 H17 N5 O6 Zn
• Title of publication: Pure white light emission from a rare earth-free intrinsic metal‒organic framework and its application in a WLED
• Authors of publication: Mondal, Tuhina; Mondal, Supriya; Bose, Saptasree; Sengupta, Debabrata; Ghorai, Uttam Kumar; Saha, Shyamal K.
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 614
• a: 8.617 ± 0.008 Å
• b: 22.95 ± 0.02 Å
• c: 10.243 ± 0.009 Å
• α: 90°
• β: 102.365 ± 0.015°
• γ: 90°
• Cell volume: 1979 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1372
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No