Information card for entry 4332555

Structure parameters

• Formula: C6 H16 Fe N4 O2
• Calculated formula: C6 H16 Fe N4 O2
• SMILES: [Fe]1(N=O)(N=O)[N](CC[N]1(C)C)(C)C
• Title of publication: Transformation and Structural Discrimination between the Neutral {Fe(NO)2}10Dinitrosyliron Complexes (DNICs) and the Anionic/Cationic {Fe(NO)2}9DNICs
• Authors of publication: Hung, Mu-Cheng; Tsai, Ming-Che; Lee, Gene-Hsiang; Liaw, Wen-Feng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 6041 - 6047
• a: 7.633 ± 0.0006 Å
• b: 13.0093 ± 0.001 Å
• c: 11.4865 ± 0.0008 Å
• α: 90°
• β: 98.786 ± 0.002°
• γ: 90°
• Cell volume: 1127.23 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0836
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No