Information card for entry 4512475

Structure parameters

• Formula: C108 H72 Co9 N18 O50
• Calculated formula: C108 H72 Co9 N18 O50
• Title of publication: A Microporous Co2+Metal Organic Framework with Single-Crystal to Single-Crystal Transformation Properties and High CO2Uptake
• Authors of publication: Moushi, Eleni E.; Kourtellaris, Andreas; Spanopoulos, Ioannis; Manos, Manolis J.; Papaefstathiou, Giannis S.; Trikalitis, Pantelis N.; Tasiopoulos, Anastasios J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 185
• a: 31.263 ± 0.005 Å
• b: 25.383 ± 0.005 Å
• c: 26.217 ± 0.005 Å
• α: 90°
• β: 116.261 ± 0.005°
• γ: 90°
• Cell volume: 18657 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0771
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No