Information card for entry 7214550

Structure parameters

• Common name: ThrZnOAc
• Formula: C12 H26 N2 O10 Zn
• Calculated formula: C12 H16 N2 O10 Zn
• Title of publication: Relating pore hydrophilicity with vapour adsorption capacity in a series of amino acid based metal organic frameworks
• Authors of publication: Kundu, Tanay; Sahoo, Subash Chandra; Banerjee, Rahul
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9634
• a: 17.4807 ± 0.0003 Å
• b: 17.4807 ± 0.0003 Å
• c: 10.435 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2761.47 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No