Information card for entry 1545258

Structure parameters

• Formula: C31.63 H33.26 Cl2 Fe N24 O8
• Calculated formula: C31.6356 H33.2712 Cl2 Fe N24 O8
• Title of publication: Gas confinement in compartmentalized coordination polymers for highly selective sorption
• Authors of publication: Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 3109
• a: 10.52034 ± 0.00006 Å
• b: 10.52034 ± 0.00006 Å
• c: 23.5917 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2261.25 ± 0.03 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Goodness-of-fit parameter for all reflections: 1.919
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.799933 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No