Information card for entry 7012996

Structure parameters

• Common name: (Fe4O2(NTB)4(SUC))(ClO4)4.(OH)2.(CH3CH2OH)2.(CH3CN)1.5.(H2O)6
• Formula: C107 H118.5 Cl4 Fe4 N29.5 O32
• Calculated formula: C107 H103 Cl4 Fe4 N29.5 O32
• Title of publication: Synthesis, characterization and catalytic ATP-hydrolysis of two tetrairon(iii) complexes bridged by succinate/terephthalate with tris(2-benzimidazolylmethyl) amineElectronic supplementary information (ESI) available: Fig. S1: 1H NMR spectrum of 2 in d6-DMSO at room temperature. See http://www.rsc.org/suppdata/dt/b3/b303369b/
• Authors of publication: Li, Dong-feng; Liao, Zhan-ru; Wei, Yong-ge; Du, Fei; Wang, Ming; Chen, Wen-xue; Li, Wu-ke; Mao, Xi-an
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 11
• Pages of publication: 2164
• a: 25.007 ± 0.005 Å
• b: 16.885 ± 0.003 Å
• c: 35.909 ± 0.007 Å
• α: 90°
• β: 95.36 ± 0.03°
• γ: 90°
• Cell volume: 15096 ± 5 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 all reflections: 0.1686
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1779
• Weighted residual factors for all reflections included in the refinement: 0.2163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No