Information card for entry 2233244

Structure parameters

• Formula: C34 H36 Cl2 Fe N4
• Calculated formula: C34 H36 Cl2 Fe N4
• SMILES: [Fe]1(Cl)(Cl)[N]([C@H]2[C@H]([N]1=Cc1c(N(c3ccccc3)C)cccc1)CCCC2)=Cc1c(N(c2ccccc2)C)cccc1
• Title of publication: {(1<i>R</i>,2<i>R</i>)-<i>N</i>,<i>N</i>'-Bis[2-(<i>N</i>-methylanilino)benzylidene]cyclohexane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>'}dichloridoiron(II)
• Authors of publication: Zhang, Yanyu; Wu, Qiaolin; Mu, Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: m64
• a: 13.04 ± 0.003 Å
• b: 13.228 ± 0.003 Å
• c: 20.602 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3553.7 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes