Information card for entry 4315073

Structure parameters

• Formula: C40 H52 Fe2 K2 N6 O16 S2
• Calculated formula: C40 H68 Fe2 K2 N6 O16 S2
• SMILES: C[N]1(C)c2ccccc2S[Fe]1(N=O)N=O.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.C[N]1(C)c2ccccc2S[Fe]1(N=O)N=O
• Title of publication: Dinuclear [{Fe(NO)2}10-{Fe(NO)2}10] Dinitrosyl Iron Complex with Thiolate-CO-Bridged Ligands
• Authors of publication: Chien-Hong Chen; Show-Jen Chiou; Hsuan-Yin Chen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2023 - 2025
• a: 8.3341 ± 0.0001 Å
• b: 15.6068 ± 0.0002 Å
• c: 20.8326 ± 0.0003 Å
• α: 90°
• β: 98.965 ± 0.001°
• γ: 90°
• Cell volume: 2676.57 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No