Information card for entry 4350213

Structure parameters

• Common name: [(PaPy3)Fe(CO)](ClO4).4MeOH
• Formula: C25 H36 Cl Fe N5 O10
• Calculated formula: C25 H35 Cl Fe N5 O10
• Title of publication: Synthesis, structure, and properties of an Fe(II) carbonyl [(PaPy3)Fe(CO)](ClO4): insight into the reactivity of Fe(II)-CO and Fe(II)-NO moieties in non-heme iron chelates of N-donor ligands.
• Authors of publication: Afshar, Raman K.; Patra, Apurba K.; Bill, Eckhard; Olmstead, Marilyn M.; Mascharak, Pradip K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 9
• Pages of publication: 3774 - 3781
• a: 8.4679 ± 0.0003 Å
• b: 14.0642 ± 0.0006 Å
• c: 25.137 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2993.7 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No