Information card for entry 2011771

Structure parameters

• Common name: Dichloro[N,N,N',N'-tetrakis(2-pyridylmethyl)benzene-1,4-diamine]iron(II)
• Chemical name: Dichloro[N,N,N',N'-tetrakis(2-pyridylmethyl)benzene-1,4-diamine]iron(II)
• Formula: C30 H28 Cl2 Fe N6
• Calculated formula: C30 H28 Cl2 Fe N6
• SMILES: [Fe]12(Cl)(Cl)[N](Cc3cccc[n]13)(Cc1cccc[n]21)c1ccc(cc1)N(Cc1ccccn1)Cc1ccccn1
• Title of publication: Dichloro[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis(2-pyridylmethyl)benzene-1,4-diamine]iron(II)
• Authors of publication: Batten, Stuart R.; McKenzie, Christine J.; Preuss Nielsen, Lars
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: 156 - 157
• a: 8.447 ± 0.0006 Å
• b: 12.91 ± 0.0012 Å
• c: 12.985 ± 0.0013 Å
• α: 90°
• β: 105.27 ± 0.006°
• γ: 90°
• Cell volume: 1366 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1323
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No