Information card for entry 4303406

Structure parameters

• Formula: C10 H8 Fe N4 O2
• Calculated formula: C10 H8 Fe N4 O2
• SMILES: [Fe]1(N=O)(N=O)[n]2ccccc2c2[n]1cccc2
• Title of publication: Synthesis, Structures, Spectroscopic and Electrochemical Properties of Dinitrosyl Iron Complexes with Bipyridine, Terpyridine, and 1,10-Phenathroline
• Authors of publication: Rongming Wang; Ximeng Wang; Eric B. Sundberg; Phuongmei Nguyen; Gian Paola G. Grant; Chaitali Sheth; Qiang Zhao; Steve Herron; Katherine A. Kantardjieff; Lijuan Li
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9779 - 9785
• a: 7.556 ± 0.003 Å
• b: 8.991 ± 0.003 Å
• c: 9.222 ± 0.003 Å
• α: 75.979 ± 0.005°
• β: 70.327 ± 0.005°
• γ: 70.099 ± 0.005°
• Cell volume: 548.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No