Information card for entry 7019321

Structure parameters

• Formula: C21 H37 B10 Cl2 F6 Fe P
• Calculated formula: C21 H37 B10 Cl2 F6 Fe P
• Title of publication: Half-pseudoferrocene cations from nucleophilic addition of o-carboranyl anions to the [(η(6)-mesitylene)(2)Fe](2+) dication.
• Authors of publication: Bakardjiev, Mario; Stíbr, Bohumil; Holub, Josef; Růžička, Aleš; Padělková, Zdeňka
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 23
• Pages of publication: 7151 - 7155
• a: 9.2701 ± 0.0006 Å
• b: 27.893 ± 0.003 Å
• c: 14.715 ± 0.0012 Å
• α: 90 ± 0.012°
• β: 127.268 ± 0.007°
• γ: 90 ± 0.009°
• Cell volume: 3028 ± 0.5 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1032
• Residual factor for significantly intense reflections: 0.0914
• Weighted residual factors for significantly intense reflections: 0.1996
• Weighted residual factors for all reflections included in the refinement: 0.2074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No