Information card for entry 2012050

Structure parameters

• Formula: C30 H24 Fe N3 O3
• Calculated formula: C30 H24 Fe N3 O3
• SMILES: [Fe]123(Oc4c5[n]1c(ccc5ccc4)C)(Oc1c4[n]2c(ccc4ccc1)C)Oc1c2[n]3c(ccc2ccc1)C
• Title of publication: (2-Methylquinolin-8-olato)iron(III) and -copper(II) complexes
• Authors of publication: Jian, Fangfang; Wang, Ying; Lu, Lude; Yang, Xujie; Wang, Xin; Chantrapromma, Suchada; Fun, Hoong-Kun; Razak, Ibrahim Abdul
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: 714 - 716
• a: 23.822 ± 0.0003 Å
• b: 16.0839 ± 0.0003 Å
• c: 15.6819 ± 0.0003 Å
• α: 90°
• β: 123.571 ± 0.001°
• γ: 90°
• Cell volume: 5006.31 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.088
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes