Information card for entry 2214269

Structure parameters

• Chemical name: [μ-2-(9-Anthrylmethyl)-2-azapropane-1,3-dithiolato- κ^4^S:S']bis[tricarbonyliron(I)]
• Formula: C23 H15 Fe2 N O6 S2
• Calculated formula: C23 H15 Fe2 N O6 S2
• SMILES: [Fe]12([Fe]3([S]1CN(C[S]23)Cc1c2ccccc2cc2ccccc12)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: [μ-2-(9-Anthrylmethyl)-2-azapropane-1,3-dithiolato-κ^4^<i>S</i>:<i>S</i>']bis[tricarbonyliron(I)]
• Authors of publication: Shang Gao; Xiao-Jun Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1997 - m1997
• a: 15.234 ± 0.006 Å
• b: 11.945 ± 0.004 Å
• c: 25.84 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4702 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes