Information card for entry 7029912

Structure parameters

• Formula: C93 H94 Cl14 Co10 N12 O30 P2
• Calculated formula: C93 H86 Cl14 Co10 N12 O30 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: 14.913 ± 0.005 Å
• b: 15.16 ± 0.005 Å
• c: 16.613 ± 0.006 Å
• α: 68.916 ± 0.006°
• β: 67.12 ± 0.006°
• γ: 65.714 ± 0.006°
• Cell volume: 3063.6 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No