Information card for entry 7226972

Structure parameters

• Formula: C78 H84 Mg4 N2 O27
• Calculated formula: C78 H84 Mg4 N2 O27
• Title of publication: Dependence of the SBU length on the size of metal ions in alkaline earth MOFs derived from a flexible C3-symmetric tricarboxylic acid
• Authors of publication: Vishnoi, Pratap; Kaleeswaran, D.; Kalita, Alok Ch.; Murugavel, Ramaswamy
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 47
• Pages of publication: 9130
• a: 16.746 ± 0.006 Å
• b: 34.094 ± 0.013 Å
• c: 19.114 ± 0.008 Å
• α: 90°
• β: 104.321 ± 0.006°
• γ: 90°
• Cell volume: 10574 ± 7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1528
• Residual factor for significantly intense reflections: 0.0967
• Weighted residual factors for significantly intense reflections: 0.2591
• Weighted residual factors for all reflections included in the refinement: 0.2925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No