Information card for entry 7029918

Structure parameters

• Formula: C90 H123 Cl6 Co10 F2 N15 O28 P2
• Calculated formula: C89.94 H122.82 Cl6 Co10 F2 N15 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: 26.658 ± 0.002 Å
• b: 14.8387 ± 0.0012 Å
• c: 30.077 ± 0.003 Å
• α: 90°
• β: 99.522 ± 0.001°
• γ: 90°
• Cell volume: 11733.6 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No