Information card for entry 7023835

Structure parameters

• Formula: C88 H68 Cu2 F12 N4 P6
• Calculated formula: C88 H68 Cu2 F12 N4 P6
• 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: 15.5949 ± 0.0007 Å
• b: 16.6538 ± 0.0009 Å
• c: 29.573 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7680.5 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No