Information card for entry 2205599

Structure parameters

• Chemical name: {1,1'-[Propane-1,3-diylbis(nitrilomethylidyne)]di-2-naphtholato}iron(II)
• Formula: C25 H20 Fe N2 O2
• Calculated formula: C25 H20 Fe N2 O2
• SMILES: [Fe]123[N](=Cc4c(ccc5ccccc45)O2)CCC[N]1=Cc1c(ccc2ccccc12)O3
• Title of publication: {1,1'-[Propane-1,3-diylbis(nitrilomethylidyne)]di-2-naphtholato}iron(II)
• Authors of publication: Zhao, Bin; Sun, Yu-Xi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m652 - m653
• a: 30.514 ± 0.003 Å
• b: 8.436 ± 0.002 Å
• c: 7.742 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1992.9 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes