Information card for entry 7202087

Structure parameters

• Formula: C20 H19 F6 N4 P
• Calculated formula: C20 H19 F6 N4 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].c1(c2ccc(Cn3c[nH+]cc3)cc2)ccc(Cn2cncc2)cc1
• Title of publication: Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl
• Authors of publication: Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 1191
• a: 9.459 ± 0.002 Å
• b: 14.67 ± 0.003 Å
• c: 15.634 ± 0.003 Å
• α: 75.506 ± 0.002°
• β: 75.031 ± 0.003°
• γ: 88.204 ± 0.003°
• Cell volume: 2027.8 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1651
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections: 0.2447
• Weighted residual factors for significantly intense reflections: 0.1873
• Goodness-of-fit parameter for all reflections: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No