Information card for entry 7238317

Structure parameters

• Formula: C108 H100 Cu4 F48 N20 O4 P8
• Calculated formula: C108 H94 Cu4 F48 N20 O4 P8
• Title of publication: When five are six: the myth of five-coordinate copper(ii) in supramolecular chemistry
• Authors of publication: Constable, Edwin C.; Housecroft, Catherine E.; Price, Jason R.; Zampese, Jennifer A.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 3163
• a: 19.703 ± 0.004 Å
• b: 11.221 ± 0.002 Å
• c: 15.989 ± 0.003 Å
• α: 90°
• β: 111.56 ± 0.03°
• γ: 90°
• Cell volume: 3287.6 ± 1.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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 all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1657
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No