Information card for entry 1561196

Structure parameters

• Formula: C10 H12 N6 O6 Zn
• Calculated formula: C10 H12 N6 O6 Zn
• SMILES: [OH2][Zn]12(OC(=[O]1)c1cnc(nc1)N)(OC(=[O]2)c1cnc(nc1)N)[OH2]
• Title of publication: Zinc-coordinated MOFs complexes regulated by hydrogen bonds: Synthesis, structure and luminescence study toward broadband white-light emission
• Authors of publication: Duan, Hui; Dan, Wenyan; Fang, Xiangdong
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 260
• Pages of publication: 159 - 164
• a: 7.8496 ± 0.0005 Å
• b: 5.3514 ± 0.0003 Å
• c: 16.5895 ± 0.001 Å
• α: 90°
• β: 100.705 ± 0.002°
• γ: 90°
• Cell volume: 684.74 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No