Information card for entry 4342899

Structure parameters

• Common name: [Fe(CNArMes2)]2
• Formula: C50 H50 Fe2 N2
• Calculated formula: C50 H50 Fe2 N2
• SMILES: [c]123[c]4([cH]5[c]6([cH]7[c]1([Fe]1824567C(=Nc2c(cccc32)c2c(cc(cc2C)C)C)[Fe]2345678C1=Nc1c(cccc1[c]12[c]3([cH]4[c]5([cH]6[c]71C)C)C)c1c(cc(cc1C)C)C)C)C)C
• 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: 7.8487 ± 0.0009 Å
• b: 21.294 ± 0.003 Å
• c: 11.8949 ± 0.0014 Å
• α: 90°
• β: 95.471 ± 0.002°
• γ: 90°
• Cell volume: 1978.9 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.1884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No