Information card for entry 7249920

Structure parameters

• Common name: ZRFSIX-21-Cu-Alpha
• Formula: C22 H35 Cu F6 N7 O5 Zr
• Calculated formula: C22 H35 Cu F6 N7 O5 Zr
• Title of publication: Fine-tuning of gas uptake and selectivity in a hexafluorozirconate pillared coordination network that features two porous phases
• Authors of publication: Harvey-Reid, Nathan C.; Scott, Hayley S.; Patil, Komal M.; Kumar, Naveen; Healy, Colm; Zaworotko, Michael J.; Mukherjee, Soumya; Kruger, Paul E.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 12
• Pages of publication: 1736 - 1741
• a: 15.4735 ± 0.0004 Å
• b: 13.207 ± 0.0004 Å
• c: 14.6062 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2984.9 ± 0.13 ų
• Cell temperature: 119.99 ± 0.1 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No