Information card for entry 4336255

Structure parameters

• Formula: C62 H50 Fe2 N22 O5 Zn3
• Calculated formula: C62 H50 Fe2 N22 O5 Zn3
• Title of publication: Effect of Pillar Modules and Their Stoichiometry in 3D Porous Frameworks of Zn(II) with [Fe(CN)6]3-: High CO2/N2 and CO2/CH4 Selectivity
• Authors of publication: Arpan Hazra; Satyanarayana Bonakala; Sandeep K. Reddy; Sundaram Balasubramanian; Tapas Kumar Maji
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11385 - 11397
• a: 15.8354 ± 0.0005 Å
• b: 17.5204 ± 0.0006 Å
• c: 11.4998 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3190.53 ± 0.17 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 6
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No