Information card for entry 4308221

Structure parameters

• Formula: C36 H30 Fe N9 O2 P2
• Calculated formula: C36 H30 Fe N9 O2 P2
• Title of publication: Dinitrosyl Iron Complexes (DNICs) Containing S/N/O Ligation: Transformation of Roussin's Red Ester into the Neutral {Fe(NO)2}10DNICs
• Authors of publication: Ming-Li Tsai; Chung-Hung Hsieh; Wen-Feng Liaw
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 5110 - 5117
• a: 16.3003 ± 0.001 Å
• b: 15.7942 ± 0.0009 Å
• c: 15.9975 ± 0.001 Å
• α: 90°
• β: 120.085 ± 0.001°
• γ: 90°
• Cell volume: 3563.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0609
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No