Information card for entry 2209318

Structure parameters

• Chemical name: Bis{2-[(4-chlorophenylimino)methyl]phenolato}iron(II)
• Formula: C26 H18 Cl2 Fe N2 O2
• Calculated formula: C26 H18 Cl2 Fe N2 O2
• SMILES: C1=[N]([Fe]2([N](=Cc3c(cccc3)O2)c2ccc(cc2)Cl)Oc2c1cccc2)c1ccc(cc1)Cl
• Title of publication: Bis{2-[(4-chlorophenylimino)methyl]phenolato}iron(II)
• Authors of publication: Xia Bao; Feng-Wu Wang; Yi-Jun Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1298 - m1300
• a: 21.87 ± 0.005 Å
• b: 8.762 ± 0.002 Å
• c: 11.788 ± 0.003 Å
• α: 90°
• β: 95.964 ± 0.003°
• γ: 90°
• Cell volume: 2246.6 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0851
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes