Information card for entry 2015173

Structure parameters

• Common name: dichlorobis(2-picolylamine)iron(II)
• Chemical name: cis/trans-dichlorobis(2-picolylamine)iron(II)
• Formula: C12 H16 Cl2 Fe N4
• Calculated formula: C12 H16 Cl2 Fe N4
• SMILES: c12cccc[n]1[Fe]1([NH2]Cc3cccc[n]13)([NH2]C2)(Cl)Cl
• Title of publication: Co-crystallized <i>cis</i> and <i>trans</i> isomers of dichlorobis(2-picolylamine)iron(II)
• Authors of publication: Karl W. Törnroos; Dmitry Chernyshov; Marc Hostettler; Hans-Beat Bürgi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m450 - m452
• a: 26.626 ± 0.002 Å
• b: 6.6818 ± 0.0005 Å
• c: 16.8821 ± 0.0013 Å
• α: 90°
• β: 107.565 ± 0.001°
• γ: 90°
• Cell volume: 2863.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes