Information card for entry 7003441

Structure parameters

• Formula: C16 H49 B20 Fe K O6.5
• Calculated formula: C16 H49 B20 Fe K O6.5
• 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: 11.155 ± 0.0018 Å
• b: 11.4338 ± 0.0019 Å
• c: 13.759 ± 0.002 Å
• α: 98.939 ± 0.009°
• β: 105.521 ± 0.009°
• γ: 94.77 ± 0.009°
• Cell volume: 1655.9 ± 0.5 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: 0.1288
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.1837
• Weighted residual factors for all reflections included in the refinement: 0.2178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No