Information card for entry 1570670

Structure parameters

• Formula: C3 O
• Calculated formula: C3 O
• Title of publication: Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.
• Authors of publication: Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 45
• Pages of publication: 12984 - 12994
• a: 4.43066 Å
• b: 4.43066 Å
• c: 4.43066 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 86.977 ų
• Number of distinct elements: 2
• Space group number: 230
• Hermann-Mauguin space group symbol: I a -3 d
• Hall space group symbol: -I 4bd 2c 3
• Residual factor for all reflections: 0
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No