Information card for entry 2235893

Structure parameters

• Chemical name: Dicarbonyl(η^5^-cyclopentadienyl)(hexamethylenetetramine- κ<i>N</i>^1^)iron(II) tetrafluoridoborate
• Formula: C13 H17 B F4 Fe N4 O2
• Calculated formula: C13 H17 B F4 Fe N4 O2
• Title of publication: Dicarbonyl(η^5^-cyclopentadienyl)(hexamethylenetetramine-κ<i>N</i>^1^)iron(II) tetrafluoridoborate
• Authors of publication: M'thiruaine, Cyprian M.; Friedrich, Holger B.; Omondi, Bernard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m1077
• a: 15.1054 ± 0.0006 Å
• b: 14.6407 ± 0.0006 Å
• c: 14.2267 ± 0.0006 Å
• α: 90°
• β: 96.997 ± 0.002°
• γ: 90°
• Cell volume: 3122.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0418
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes