Information card for entry 4311472

Structure parameters

• Common name: [(PaNPy3)Fe(NO)](ClO4)2^.^CH3CN
• Formula: C22 H23 Cl2 Fe N7 O10
• Calculated formula: C22 H23 Cl2 Fe N7 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: 7.6984 ± 0.0013 Å
• b: 22.015 ± 0.004 Å
• c: 30.754 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5212.2 ± 1.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1813
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 0.796
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No