Information card for entry 2014597

Structure parameters

• Chemical name: μ-Oxo-bis{[(6-hydroxymethyl-2-pyridylmethyl)bis(2-pyridylmethyl)amine -κ^5^N,N',N'',N''',O]iron(III)} tetrakis(perchlorate)
• Formula: C38 H40 Cl4 Fe2 N8 O19
• Calculated formula: C38 H40 Cl4 Fe2 N8 O19
• SMILES: c1cccc2[n]1[Fe]134([n]5c(cccc5)C[N]4(C2)Cc2[n]1c(ccc2)C[OH]3)O[Fe]1234[n]5ccccc5C[N]1(Cc1cccc[n]21)Cc1[n]3c(ccc1)C[OH]4.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: μ-Oxo-bis{[(6-hydroxymethyl-2-pyridylmethyl)bis(2-pyridylmethyl)amine-κ^5^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''',<i>O</i>]iron(III)} tetrakis(perchlorate)
• Authors of publication: Yun-Ling, Gao; Xiao-Jun, Peng; Shi-Guo, Sun; Chang-Neng, Chen; Li-Cheng, Sun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: m13 - m15
• a: 24.0733 ± 0.0009 Å
• b: 9.9223 ± 0.0003 Å
• c: 20.5055 ± 0.0008 Å
• α: 90°
• β: 111.22 ± 0.002°
• γ: 90°
• Cell volume: 4565.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes