Information card for entry 7225386

Structure parameters

• Formula: C21 H16 Cu N4 O12
• Calculated formula: C21 H16 Cu N4 O12
• Title of publication: Particle size effects in the kinetic trapping of a structurally-locked form of a flexible MOF
• Authors of publication: Linder-Patton, Oliver M.; Bloch, Witold M.; Coghlan, Campbell J.; Sumida, Kenji; Kitagawa, Susumu; Furukawa, Shuhei; Doonan, Christian J.; Sumby, Christopher J.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 22
• Pages of publication: 4172
• a: 9.4 ± 0.0002 Å
• b: 19.5102 ± 0.0003 Å
• c: 14.7022 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2696.32 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No