Information card for entry 4103197

Structure parameters

• Formula: C4.5 H9 B0.5 F2 Fe N2.5 O1.5 S
• Calculated formula: C4.5 H9 B0.5 F2 Fe N2.5 O1.5 S
• Title of publication: A {Fe(NO)3}10 Trinitrosyliron Complex Stabilized by an N-Heterocyclic Carbene and the Cationic and Neutral {Fe(NO)2}9/10 Products of Its NO Release
• Authors of publication: Chung-Hung Hsieh; Marcetta Y. Darensbourg
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 14118 - 14125
• a: 14.089 ± 0.005 Å
• b: 7.999 ± 0.003 Å
• c: 15.361 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1731.2 ± 1.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No