Information card for entry 4331675

Structure parameters

• Formula: C26 H40 Cu F12 N4 O6 P2
• Calculated formula: C23 H25 Cu F12 N4 O3 P2
• Title of publication: Highly Selective CO2 Adsorption Accompanied with Low-Energy Regeneration in a Two-Dimensional Cu(II) Porous Coordination Polymer with Inorganic Fluorinated PF6- Anions
• Authors of publication: Shin-ichiro Noro; Yuh Hijikata; Munehiro Inukai; Tomohiro Fukushima; Satoshi Horike; Masakazu Higuchi; Susumu Kitagawa; Tomoyuki Akutagawa; Takayoshi Nakamura
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 280 - 285
• a: 16.1603 ± 0.0003 Å
• b: 14.9216 ± 0.0004 Å
• c: 30.305 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7307.7 ± 0.3 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No