Information card for entry 2217359

Structure parameters

• Chemical name: Tris[4-(2-pyridylmethyleneamino)phenol]iron(II) bis(perchlorate)
• Formula: C36 H30 Cl2 Fe N6 O11
• Calculated formula: C36 H30 Cl2 Fe N6 O11
• SMILES: [Fe]123([n]4c(C=[N]1c1ccc(O)cc1)cccc4)([N](c1ccc(O)cc1)=Cc1[n]2cccc1)[N](c1ccc(O)cc1)=Cc1[n]3cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Tris[4-(2-pyridylmethyleneamino)phenol]iron(II) bis(perchlorate)
• Authors of publication: Şerb, Mihaela-Diana; Calmuschi-Cula, Beatrice; Dumitru, Florina; Englert, Ulli; Guran, Cornelia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m212 - m213
• a: 16.201 ± 0.003 Å
• b: 9.1222 ± 0.0015 Å
• c: 23.787 ± 0.004 Å
• α: 90°
• β: 91.089 ± 0.005°
• γ: 90°
• Cell volume: 3514.8 ± 1.1 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1314
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes