Information card for entry 4303407

Structure parameters

• Common name: Dinitrosyl Iron Complexes
• Chemical name: Fe(NO)2terpy compound
• Formula: C15 H11 Fe N5 O2
• Calculated formula: C15 H11 Fe N5 O2
• SMILES: [Fe]1([n]2c(cccc2c2ncccc2)c2[n]1cccc2)(N=O)N=O
• 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: 7.2063 ± 0.0008 Å
• b: 12.7208 ± 0.0013 Å
• c: 16.4642 ± 0.0018 Å
• α: 90°
• β: 98.926 ± 0.004°
• γ: 90°
• Cell volume: 1491 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.046
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No