Information card for entry 4331778

Structure parameters

• Formula: C36 H30 Fe N5 O8 P2
• Calculated formula: C36 H30 Fe N5 O8 P2
• SMILES: [Fe](N=O)(N=O)(ON(=O)=O)ON(=O)=O.N(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Nitrate-to-Nitrite-to-Nitric Oxide Conversion Modulated by Nitrate-Containing {Fe(NO)2}9 Dinitrosyl Iron Complex (DNIC)
• Authors of publication: Fu-Te Tsai; Yu-Ching Lee; Ming-Hsi Chiang; Wen-Feng Liaw
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 464 - 473
• a: 9.8407 ± 0.0007 Å
• b: 11.8917 ± 0.0008 Å
• c: 16.5043 ± 0.0012 Å
• α: 70.701 ± 0.003°
• β: 79.615 ± 0.003°
• γ: 83.697 ± 0.003°
• Cell volume: 1790.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No