Information card for entry 4311473

Structure parameters

• Common name: [Fe(PaNPy3)(NO)](ClO4)2.1.75CH3CN
• Formula: C24.5 H27.25 Cl2 Fe N7.75 O10
• Calculated formula: C24.5 H22 Cl2 Fe N7.75 O10
• Title of publication: Syntheses, Structures, and Reactivities of {Fe-NO}6 Nitrosyls Derived from Polypyridine-Carboxamide Ligands: Photoactive NO-Donors and Reagents for S-Nitrosylation of Alkyl Thiols
• Authors of publication: Raman K. Afshar; Apurba K. Patra; Marilyn M. Olmstead; Pradip K. Mascharak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5736 - 5743
• a: 14.665 ± 0.005 Å
• b: 18.429 ± 0.006 Å
• c: 21.46 ± 0.007 Å
• α: 90°
• β: 93.221 ± 0.007°
• γ: 90°
• Cell volume: 5791 ± 3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1917
• Weighted residual factors for all reflections included in the refinement: 0.1998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No