Information card for entry 7226973

Structure parameters

• Formula: C72 H79 Ca4 Cl N2 O26
• Calculated formula: C72 H79 Ca4 Cl N2 O26
• 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: 15.547 ± 0.006 Å
• b: 20.203 ± 0.01 Å
• c: 20.451 ± 0.012 Å
• α: 118.19 ± 0.03°
• β: 95.92 ± 0.07°
• γ: 103.52 ± 0.05°
• Cell volume: 5331 ± 6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1977
• Residual factor for significantly intense reflections: 0.1417
• Weighted residual factors for significantly intense reflections: 0.3812
• Weighted residual factors for all reflections included in the refinement: 0.4188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No