Information card for entry 2213532

Structure parameters

• Chemical name: Ammonium bis{3-anilinocarbonyl-1-[(5-chloro-2-oxidophenyl)diazenyl]- 2-naphtholato}ferrate(III) acetone solvate
• Formula: C49 H58 Cl2 Fe N7 O7
• Calculated formula: C49 H38 Cl2 Fe N7 O7
• SMILES: [Fe]1234(Oc5ccc(Cl)cc5[N]3=Nc3c5ccccc5cc(c3O1)C(=O)Nc1ccccc1)Oc1c([N]4=Nc3c(O2)c(cc2c3cccc2)C(=O)Nc2ccccc2)cc(Cl)cc1.O=C(C)C.[NH4+]
• Title of publication: Ammonium bis{3-anilinocarbonyl-1-[(5-chloro-2-oxidophenyl)diazenyl]-2-naphtholato}ferrate(III) acetone solvate
• Authors of publication: Mizuguchi, Jin; Uta, Kazuya; Sato, Yohei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1329 - m1330
• a: 11.3199 ± 0.0014 Å
• b: 13.7962 ± 0.0017 Å
• c: 27.757 ± 0.004 Å
• α: 90°
• β: 93.747 ± 0.003°
• γ: 90°
• Cell volume: 4325.6 ± 1 ų
• Cell temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.2574
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes