Information card for entry 7131079

Structure parameters

• Formula: C13 H12 N9 Zn2
• Calculated formula: C13 H12 N9 Zn2
• Title of publication: Formation of a meltable purinate metal-organic framework and its glass analogue.
• Authors of publication: Bumstead, Alice M.; Castillo-Blas, Celia; Pakamorė, Ignas; Thorne, Michael F.; Sapnik, Adam F.; Chester, Ashleigh M.; Robertson, Georgina; Irving, Daniel J. M.; Chater, Philip A.; Keen, David A.; Forgan, Ross S.; Bennett, Thomas D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 6
• Pages of publication: 732 - 735
• a: 15.1336 ± 0.0005 Å
• b: 15.4532 ± 0.0005 Å
• c: 18.4151 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4306.6 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No