Information card for entry 2213420

Structure parameters

• Chemical name: Poly[bis(acetone)bis[μ-4-[(5-chloro-2-oxidophenyl)diazenyl]-3-oxido-N- phenylnaphthalene-2-carboxamidato]sodium(I)ferrate(III)]
• Formula: C52 H40 Cl2 Fe N6 Na O8
• Calculated formula: C52 H40 Cl2 Fe N6 Na O8
• SMILES: [Fe]1234(Oc5c(N=[N]4c4c(O2)ccc(Cl)c4)c2ccccc2cc5C(=O)Nc2ccccc2)Oc2c(N=[N]3c3c(O1)ccc(Cl)c3)c1ccccc1cc2C(=O)Nc1ccccc1.[Na+].O=C(C)C.O=C(C)C
• Title of publication: Poly[bis(acetone)bis[μ-4-[(5-chloro-2-oxidophenyl)diazenyl]-3-oxido-<i>N</i>-phenylnaphthalene-2-carboxamidato]sodium(I)ferrate(III)]
• 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: m1377 - m1378
• a: 13.8165 ± 0.0004 Å
• b: 13.8623 ± 0.0004 Å
• c: 14.1524 ± 0.0005 Å
• α: 98.8719 ± 0.001°
• β: 105.388 ± 0.001°
• γ: 109.064 ± 0.0008°
• Cell volume: 2382.21 ± 0.13 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes