Information card for entry 4512477

Structure parameters

• Formula: C120 H84 Co9 N18 O42
• Calculated formula: C120 H84 Co9 N18 O42
• 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: 31.1125 ± 0.0017 Å
• b: 25.3261 ± 0.0017 Å
• c: 12.9022 ± 0.001 Å
• α: 90°
• β: 113.28 ± 0.007°
• γ: 90°
• Cell volume: 9338.7 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1645
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No