Information card for entry 7238315

Structure parameters

• Formula: C29 H23 Cu F12 N5 P2
• Calculated formula: C29 H23 Cu F12 N5 P2
• 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: 16.406 ± 0.003 Å
• b: 20.617 ± 0.004 Å
• c: 8.9854 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3039.2 ± 1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No