Information card for entry 7023838

Structure parameters

• Formula: C181 H158 Cu4 F24 N8 O5 P12
• Calculated formula: C181 H148 Cu4 F24 N8 O5 P12
• Title of publication: Monomer, dimer or cyclic helicate? Coordination diversity with hard-soft P,N-donor ligands.
• Authors of publication: Constable, Edwin C.; Hostettler, Nik; Housecroft, Catherine E.; Murray, Niamh S.; Schönle, Jonas; Soydaner, Umut; Walliser, Roché M; Zampese, Jennifer A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 14
• Pages of publication: 4970 - 4977
• a: 12.9676 ± 0.0014 Å
• b: 47.18 ± 0.005 Å
• c: 18.0286 ± 0.0015 Å
• α: 90°
• β: 128.169 ± 0.005°
• γ: 90°
• Cell volume: 8671.8 ± 1.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1296
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.2258
• Weighted residual factors for all reflections included in the refinement: 0.2623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No