Information card for entry 7060242

Structure parameters

• Formula: C4 H17 N5 O12 Zn
• Calculated formula: C4 H17 N5 O12 Zn
• Title of publication: Secondary ligands and the intramolecular hydrogen bonds drive photoluminescence quantum yields from aminopyrazine coordination polymers
• Authors of publication: Lemes, Maykon Alves; do Nascimento Neto, José Antônio; Fernandes Guimarães, Freddy; Maia, Lauro June Queiroz; de Santana, Ricardo Costa; Terra Martins, Felipe
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 46
• Pages of publication: 20259 - 20266
• a: 7.0956 ± 0.0005 Å
• b: 7.2718 ± 0.0005 Å
• c: 7.8386 ± 0.0005 Å
• α: 64.685 ± 0.003°
• β: 84.284 ± 0.003°
• γ: 86.291 ± 0.003°
• Cell volume: 363.69 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No