Information card for entry 2213531

Structure parameters

• Chemical name: Ammonium bis{3-anilinocarbonyl-1-[(5-chloro-2-oxidophenyl)diazenyl]- 2-naphtholato}ferrate(III) methanol solvate
• Formula: C47 H56 Cl2 Fe N7 O7
• Calculated formula: C47 H36 Cl2 Fe N7 O7
• SMILES: [Fe]1234(Oc5ccc(Cl)cc5[N]3=Nc3c(O1)c(cc1c3cccc1)C(=O)Nc1ccccc1)Oc1ccc(Cl)cc1[N]4=Nc1c(O2)c(cc2c1cccc2)C(=O)Nc1ccccc1.OC.[NH4+]
• Title of publication: Ammonium bis{3-anilinocarbonyl-1-[(5-chloro-2-oxidophenyl)diazenyl]-2-naphtholato}ferrate(III) methanol solvate
• Authors of publication: Mizuguchi, Jin; Sato, Yohei; Uta, Kazuya
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1327 - m1328
• a: 10.1107 ± 0.0004 Å
• b: 14.1645 ± 0.0006 Å
• c: 15.3877 ± 0.0007 Å
• α: 103.224 ± 0.0011°
• β: 102.827 ± 0.0012°
• γ: 94.086 ± 0.0012°
• Cell volume: 2074.39 ± 0.15 ų
• Cell temperature: 93.1 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 significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes