Information card for entry 7029670

Structure parameters

• Formula: C17 H17 N O8 Zn
• Calculated formula: C17 H17 N O8 Zn
• Title of publication: Zinc metal-organic frameworks: efficient catalysts for the diastereoselective Henry reaction and transesterification.
• Authors of publication: Karmakar, Anirban; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 21
• Pages of publication: 7795 - 7810
• a: 6.2898 ± 0.0003 Å
• b: 19.3555 ± 0.0011 Å
• c: 14.9434 ± 0.0008 Å
• α: 90°
• β: 90.931 ± 0.002°
• γ: 90°
• Cell volume: 1819 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No