Information card for entry 7207040

Structure parameters

• Formula: C28 H24 N10 O5 Zn
• Calculated formula: C28 H24 N10 O5 Zn
• Title of publication: Selective carbon dioxide uptake and crystal-to-crystal transformation: porous 3D framework to 1D chain triggered by conformational change of the spacer
• Authors of publication: Haldar, Ritesh; Maji, Tapas Kumar
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 684
• a: 18.5462 ± 0.0009 Å
• b: 20.0824 ± 0.001 Å
• c: 8.7759 ± 0.0005 Å
• α: 90°
• β: 101.244 ± 0.003°
• γ: 90°
• Cell volume: 3205.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1247
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.2285
• Weighted residual factors for all reflections included in the refinement: 0.2649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No