Information card for entry 7017258

Structure parameters

• Formula: C54 H112 Fe6 K2 O36 P4
• Calculated formula: C53.627 H104.762 Fe6 K2 O35.3135 P4
• Title of publication: Octa- and hexametallic iron(iii)-potassium phosphonate cages.
• Authors of publication: Gopal, Kandasamy; Tuna, Floriana; Winpenny, Richard E. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12044 - 12047
• a: 13.5243 ± 0.0006 Å
• b: 13.868 ± 0.0008 Å
• c: 22.6682 ± 0.0012 Å
• α: 90.831 ± 0.004°
• β: 91.805 ± 0.004°
• γ: 95.392 ± 0.004°
• Cell volume: 4230 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No