Information card for entry 7029916

Structure parameters

• Formula: C114 H110 Cl6 Co10 F2 N12 O28 P2
• Calculated formula: C114 H110 Cl6 Co10 F2 N12 O28 P2
• Title of publication: Synthesis and characterisation of cobalt(II) phosphonate cage complexes utilizing carboxylates and pyridonates as co-ligands.
• Authors of publication: Langley, Stuart K.; Helliwell, Madeleine; Teat, Simon J.; Winpenny, Richard E. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 41
• Pages of publication: 12807 - 12817
• a: 17.1315 ± 0.0015 Å
• b: 19.9492 ± 0.0017 Å
• c: 18.2948 ± 0.0016 Å
• α: 90°
• β: 91.99 ± 0.001°
• γ: 90°
• Cell volume: 6248.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No