Information card for entry 7030342

Structure parameters

• Formula: C24 H48 Fe4 K2 N8 O20 S2
• Calculated formula: C24 H48 Fe4 K2 N8 O20 S2
• SMILES: C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]6CC[O]1[K]23456[O]=[N]1[Fe]234(N=O)[S]([Fe]12(N=O)N=O)[Fe]124(N=O)[N]([Fe]2(N=O)(N=O)[S]31)=[O][K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
• Title of publication: The dinitrosyliron complex [Fe4(μ3-S)2(μ2-NO)2(NO)6](2-) containing bridging nitroxyls: (15)N (NO) NMR analysis of the bridging and terminal NO-coordinate ligands.
• Authors of publication: Yeh, Shih-Wey; Tsou, Chih-Chin; Liaw, Wen-Feng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 24
• Pages of publication: 9022 - 9025
• a: 9.479 ± 0.002 Å
• b: 11.16 ± 0.002 Å
• c: 12.966 ± 0.003 Å
• α: 99.547 ± 0.004°
• β: 109.035 ± 0.003°
• γ: 113.002 ± 0.003°
• Cell volume: 1123.7 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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 all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No