Information card for entry 7033153

Structure parameters

• Formula: C35.5 H56 B18 Cl3 Fe O P2
• Calculated formula: C35.5 H56 B18 Cl3 Fe O P2
• Title of publication: Synthesis and the structure of 8-tetrahydrofuronium and 8-tetrahydropyronium derivatives of iron bis(dicarbollide)(-I) and their cleavage reactions.
• Authors of publication: Lobanova, Irina; Kosenko, Irina; Laskova, Julia; Ananyev, Ivan; Druzina, Anna; Godovikov, Ivan; Bregadze, Vladimir I.; Qi, Shicheng; Leśnikowski, Zbigniew J; Semioshkin, Andrey
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 4
• Pages of publication: 1571 - 1584
• a: 12.2119 ± 0.0004 Å
• b: 13.9471 ± 0.0005 Å
• c: 15.173 ± 0.0005 Å
• α: 72.62 ± 0.002°
• β: 81.392 ± 0.002°
• γ: 69.815 ± 0.002°
• Cell volume: 2311.68 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0567
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No