Information card for entry 7003439

Structure parameters

• Formula: C28 H72 B20 Fe K2 O12
• Calculated formula: C28 H72 B20 Fe K2 O12
• Title of publication: New 13-vertex metallacarborane sandwich compounds; synthetic and structural studies
• Authors of publication: Ellis, David; McIntosh, Ruaraidh D.; Esquirolea, Susana; Viñas, Clara; Rosair, Georgina M.; Teixidor, Francesc; Welch, Alan J.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 8
• Pages of publication: 1009 - 1017
• a: 17.3264 ± 0.0019 Å
• b: 17.501 ± 0.002 Å
• c: 18.566 ± 0.002 Å
• α: 85.816 ± 0.007°
• β: 83.028 ± 0.007°
• γ: 60.542 ± 0.007°
• Cell volume: 4865.1 ± 1 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: 0.0886
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No