Information card for entry 2210547

Structure parameters

• Chemical name: [1,2-Bis(1H-pyrrol-2-ylmethyleneamino)ethane-κ^4^N]iron(II)
• Formula: C12 H12 Fe N4
• Calculated formula: C12 H12 Fe N4
• SMILES: [Fe]123n4c(C=[N]2CC[N]3=Cc2n1ccc2)ccc4
• Title of publication: [1,2-Bis(1<i>H</i>-pyrrol-2-ylmethyleneamino)ethane-κ^4^<i>N</i>]iron(II)
• Authors of publication: Ran, Jing-Wen; Gong, Dao-Jun; Li, Ya-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2668 - m2669
• a: 6.923 ± 0.003 Å
• b: 8.828 ± 0.003 Å
• c: 10.512 ± 0.004 Å
• α: 114.634 ± 0.004°
• β: 92.149 ± 0.004°
• γ: 98.351 ± 0.004°
• Cell volume: 574.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes