Information card for entry 1545255

Structure parameters

• Formula: C30 H30 B2 F8 Fe N24
• Calculated formula: C30 H30 B2 F7.99 Fe N24
• 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: 10.4852 ± 0.001 Å
• b: 10.4852 ± 0.001 Å
• c: 23.308 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2219.2 ± 0.4 ų
• Cell temperature: 240 ± 0.14 K
• Ambient diffraction temperature: 240 ± 0.14 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.2252
• Residual factor for significantly intense reflections: 0.1085
• Weighted residual factors for significantly intense reflections: 0.2302
• Weighted residual factors for all reflections included in the refinement: 0.3038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No