Information card for entry 7008164

Structure parameters

• Formula: C6 H14 B8 Fe P2
• Calculated formula: C6 H14 B8 Fe P2
• Title of publication: Diphosphacarborane analogues of ferrocene: the synthesis of two isomeric twelve-vertex closo-[(eta5-C5H5)FeP2CB8H9] complexes.
• Authors of publication: Bakardjiev, Mario; Holub, Josef; Carr, Michael J.; Kennedy, John D.; Stibr, Bohumil
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 5
• Pages of publication: 909 - 913
• a: 7.4441 ± 0.0003 Å
• b: 10.3911 ± 0.0006 Å
• c: 8.8386 ± 0.0004 Å
• α: 90°
• β: 113.95 ± 0.003°
• γ: 90°
• Cell volume: 624.82 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No