Information card for entry 7105491

Structure parameters

• Formula: C50 H48 Cu F12 N4 O2 P2
• Calculated formula: C50 H48 Cu F12 N4 O2 P2
• SMILES: [Cu]([O]=C(C)C)([O]=C(C)C)([n]1ccc(cc1)c1ccccc1)([n]1ccc(cc1)c1ccccc1)([n]1ccc(cc1)c1ccccc1)[n]1ccc(cc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Selective separation of larger molecules from a Lewis-base mixture by flexible one-dimensional Cu(ii) coordination polymer with shape-recognizing space
• Authors of publication: Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 18
• Pages of publication: 3134 - 3136
• a: 16.8048 ± 0.0008 Å
• b: 16.1422 ± 0.0007 Å
• c: 18.8487 ± 0.0009 Å
• α: 90°
• β: 99.9454 ± 0.0013°
• γ: 90°
• Cell volume: 5036.2 ± 0.4 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No