Information card for entry 4321581

Structure parameters

• Common name: Hexa-Iron(III)-inclusion-cluster
• Chemical name: (Na(12-MC(Fe(III)N(COO)-3)2(my-O)3)(ClO4)14(H2O)
• Formula: C42 H88 Cl Fe6 N6 Na O51
• Calculated formula: C42 H60 Cl Fe6 N6 Na O51
• Title of publication: A New Cylindrical, Six-Membered Iron(III) Inclusion Cluster Consisting of Three Oxo-Bridged Diiron Subunits Linked by Carboxylate Bridges
• Authors of publication: Thorsten Schneppensieper; Günter Liehr; Rudi van Eldik; Jürgen Ensling; Philipp Gütlich
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5565 - 5568
• a: 14.146 ± 0.005 Å
• b: 14.146 ± 0.005 Å
• c: 65.69 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11384 ± 6 ų
• Cell temperature: 200 ± 8 K
• Ambient diffraction temperature: 200 ± 8 K
• Number of distinct elements: 7
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.245
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No