Information card for entry 4104010

Structure parameters

• Formula: C18 H32 Fe2 N10 O14
• Calculated formula: C18 H32 Fe2 N10 O14
• SMILES: C1COCCOCCOCCOCCOCCO1.N(=O)[Fe](N=O)([n]1c[nH]cc1)ON=O.c1[n](cc[nH]1)[Fe](N=O)(N=O)ON=O
• Title of publication: Dinitrosyl Iron Complexes (DNICs) Bearing O-Bound Nitrito Ligand: Reversible Transformation between the Six-Coordinate {Fe(NO)2}9[(1-MeIm)2(η2-ONO)Fe(NO)2] (g= 2.013) and Four-Coordinate {Fe(NO)2}9[(1-MeIm)(ONO)Fe(NO)2] (g= 2.03)
• Authors of publication: Fu-Te Tsai; Ting-Shen Kuo; Wen-Feng Liaw
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 3426 - 3427
• a: 17.6524 ± 0.0005 Å
• b: 15.9364 ± 0.0006 Å
• c: 12.7876 ± 0.0004 Å
• α: 90°
• β: 117.878 ± 0.002°
• γ: 90°
• Cell volume: 3179.86 ± 0.19 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0694
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No