Information card for entry 4340950

Structure parameters

• Formula: C30 H28.66 N2 O12.33 Sr
• Calculated formula: C30 H20 N2 O12.33 Sr
• 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: 19.9232 ± 0.0012 Å
• b: 19.9232 ± 0.0012 Å
• c: 14.9716 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5942.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No