Information card for entry 2235415

Structure parameters

• Chemical name: Dicarbonyl(hexamethylene-1,3,5,7-tetramine-κ<i>N</i>^1^)(η^5^- pentamethylcyclopentadienyl)iron(II) tetrafluoridoborate
• Formula: C18 H27 B F4 Fe N4 O2
• Calculated formula: C18 H27 B F4 Fe N4 O2
• Title of publication: Dicarbonyl(hexamethylene-1,3,5,7-tetramine-κ<i>N</i>^1^)(η^5^-pentamethylcyclopentadienyl)iron(II) tetrafluoridoborate
• Authors of publication: M'thiruaine, Cyprian M.; Friedrich, Holger B.; Changamu, Evans O.; Fernandes, Manuel A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m931
• a: 13.8388 ± 0.0006 Å
• b: 9.1771 ± 0.0004 Å
• c: 16.4365 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2087.44 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes