Information card for entry 4342893

Structure parameters

• Chemical name: Fe(CO)4(CNArMes2)
• Formula: C29 H25 Fe N O4
• Calculated formula: C29 H25 Fe N O4
• SMILES: C(#[N]c1c(c2c(cc(cc2C)C)C)cccc1c1c(cc(cc1C)C)C)[Fe](C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis and protonation of an encumbered iron tetraisocyanide dianion.
• Authors of publication: Mokhtarzadeh, Charles C.; Margulieux, Grant W.; Carpenter, Alex E.; Weidemann, Nils; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 5579 - 5587
• a: 8.2857 ± 0.0003 Å
• b: 18.0545 ± 0.0007 Å
• c: 8.6241 ± 0.0003 Å
• α: 90°
• β: 96.625 ± 0.002°
• γ: 90°
• Cell volume: 1281.5 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No