Information card for entry 4001042

Structure parameters

• Formula: C24 H28 Cu F12 N4 P2
• Calculated formula: C24 H28 Cu F12 N4 P2
• SMILES: [Cu]([F][P](F)(F)(F)(F)F)([F][P](F)(F)(F)(F)F)([n]1ccc(cc1)C)([n]1ccc(cc1)C)([n]1ccc(cc1)C)[n]1ccc(cc1)C
• Title of publication: Selective Gas Adsorption in One-Dimensional, Flexible Cu^II^ Coordination Polymers with Polar Units
• Authors of publication: Noro, Shin-ichiro; Tanaka, Daisuke; Sakamoto, Hirotoshi; Shimomura, Satoru; Kitagawa, Susumu; Takeda, Sadamu; Uemura, Kazuhiro; Kita, Hidetoshi; Akutagawa, Tomoyuki; Nakamura, Takayoshi
• Journal of publication: Chemistry of Materials
• Year of publication: 2009
• Journal volume: 21
• Journal issue: 14
• Pages of publication: 3346 - 3355
• a: 10.9807 ± 0.0006 Å
• b: 16.9871 ± 0.0007 Å
• c: 17.3239 ± 0.0007 Å
• α: 81.0128 ± 0.0014°
• β: 82.301 ± 0.002°
• γ: 75.0575 ± 0.0016°
• Cell volume: 3068.9 ± 0.2 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No