Information card for entry 4340946

Structure parameters

• Formula: C30 H24 Ca N2 O12
• Calculated formula: C30 H24 Ca N2 O12
• Title of publication: Framework complexes of group 2 metals organized by homochiral rods and π···π stacking forces: a breathing supramolecular MOF.
• Authors of publication: Reger, Daniel L.; Leitner, Andrew; Pellechia, Perry J.; Smith, Mark D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 18
• Pages of publication: 9932 - 9945
• a: 15.585 ± 0.004 Å
• b: 21.919 ± 0.005 Å
• c: 8.214 ± 0.002 Å
• α: 90°
• β: 103.41 ± 0.004°
• γ: 90°
• Cell volume: 2729.5 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No