Information card for entry 2200971

Structure parameters

• Chemical name: Bis[cyclopentadienyl(dicarbonyl)iron]mercury(II)
• Formula: C14 H10 Fe2 Hg O4
• Calculated formula: C14 H10 Fe2 Hg O4
• SMILES: C(#[O])[Fe]1234(C#[O])([cH]5[cH]1[cH]2[cH]3[cH]45)[Hg][Fe]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: Bis[dicarbonyl(cyclopentadienyl)ferrio]mercury(II)
• Authors of publication: McIndoe, J. Scott; Nicholson, Brian K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: m53 - m54
• a: 11.6756 ± 0.0001 Å
• b: 11.6756 ± 0.0001 Å
• c: 10.503 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1431.77 ± 0.02 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes