Information card for entry 7033151

Structure parameters

• Formula: C12 H38 B18 Fe N O2
• Calculated formula: C12 H38 B18 Fe N O2
• 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: 10.4813 ± 0.0008 Å
• b: 16.4726 ± 0.0013 Å
• c: 23.1236 ± 0.0019 Å
• α: 71.221 ± 0.002°
• β: 85.257 ± 0.002°
• γ: 83.086 ± 0.002°
• Cell volume: 3748.3 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1474
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No