Information card for entry 7037516

Structure parameters

• Formula: C55 H92 N10 O17 Zn2
• Calculated formula: C49 H64 N8 O8 Zn2
• Title of publication: A novel zinc(ii) metal-organic framework with a diamond-like structure: synthesis, study of thermal robustness and gas adsorption properties.
• Authors of publication: Almáši, Miroslav; Zeleňák, Vladimír; Zukal, Arnošt; Kuchár, Juraj; Čejka, Jiří
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 3
• Pages of publication: 1233 - 1242
• a: 17.1627 ± 0.001 Å
• b: 17.1627 ± 0.001 Å
• c: 12.407 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3654.6 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.131
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.2013
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No