Information card for entry 7201957

Structure parameters

• Formula: C38 H28 Cu F6 N4 O2 P
• Calculated formula: C38 H28 Cu F6 N4 O2 P
• Title of publication: The aryl‒phen and phen‒phen embraces—new supramolecular motifs
• Authors of publication: Constable, Edwin C.; Chaurin, Valérie; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 8
• Pages of publication: 1063
• a: 10.1491 ± 0.0003 Å
• b: 11.4654 ± 0.0003 Å
• c: 15.1523 ± 0.0004 Å
• α: 71.8196 ± 0.0016°
• β: 82.5003 ± 0.0013°
• γ: 82.8793 ± 0.0017°
• Cell volume: 1654.33 ± 0.08 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.0447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No