Information card for entry 7023834

Structure parameters

• Formula: C267.75 H218 Cu6 F36 N12 O3 P18
• Calculated formula: C267.75 H212 Cu6 F29.5 N12 O3 P17
• 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: 25.0441 ± 0.0018 Å
• b: 40.832 ± 0.003 Å
• c: 33.763 ± 0.002 Å
• α: 90°
• β: 125.986 ± 0.004°
• γ: 90°
• Cell volume: 27937 ± 4 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: 0.4535
• Residual factor for significantly intense reflections: 0.1469
• Weighted residual factors for significantly intense reflections: 0.2839
• Weighted residual factors for all reflections included in the refinement: 0.432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.352
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No