Information card for entry 2229822

Structure parameters

• Chemical name: (μ-Ethane-1,2-diamine-κ^2^<i>N</i>:<i>N</i>')bis[dicarbonyl(η^5^- cyclopentadienyl)iron(II)] bis(tetrafluoridoborate)
• Formula: C16 H18 B2 F8 Fe2 N2 O4
• Calculated formula: C16 H18 B2 F8 Fe2 N2 O4
• SMILES: [B](F)(F)(F)[F-].[cH]12[cH]3[cH]4[Fe]513(C#[O])(C#[O])([cH]4[cH]25)[NH2]CC[NH2][Fe]1234([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])C#[O].[B](F)(F)(F)[F-]
• Title of publication: (μ-Ethane-1,2-diamine-κ^2^<i>N</i>:<i>N</i>')bis[dicarbonyl(η^5^-cyclopentadienyl)iron(II)] bis(tetrafluoridoborate)
• Authors of publication: M'thiruaine, Cyprian M.; Friedrich, Holger B.; Changamu, Evans O.; Omondi, Bernard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m485
• a: 11.5593 ± 0.0007 Å
• b: 15.5194 ± 0.0009 Å
• c: 12.4056 ± 0.0008 Å
• α: 90°
• β: 95.774 ± 0.001°
• γ: 90°
• Cell volume: 2214.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0455
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes