Information card for entry 2006197

Structure parameters

• Formula: C32 H26 Cl Fe N2 O4
• Calculated formula: C32 H26 Cl Fe N2 O4
• SMILES: O1CCOCC1.c12ccc3ccccc3c2C=[N]2c3ccccc3[N]3=Cc4c5ccccc5ccc4O[Fe]23(O1)Cl
• Title of publication: A Five-Coordinated Monomer of Chloro[<i>N</i>,<i>N</i>'-(di-2-hydroxy-1-naphthylidene)-1,2-diaminobenzene]iron(III)
• Authors of publication: Elerman, Yalçın; Kabak, Mehmet; Ülkü, Dinçer
• Journal of publication: Acta Crystallographica, Section C: Crystal Structure Communications
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 712 - 714
• a: 9.3218 ± 0.0007 Å
• b: 9.5837 ± 0.0005 Å
• c: 15.5376 ± 0.0008 Å
• α: 94.431 ± 0.01°
• β: 101.179 ± 0.011°
• γ: 99.73 ± 0.01°
• Cell volume: 1333.44 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for all reflections: 0.165
• Weighted residual factors for significantly intense reflections: 0.16
• Goodness-of-fit parameter for all reflections: 1.143
• Goodness-of-fit parameter for significantly intense reflections: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No