Information card for entry 4323840

Structure parameters

• Chemical name: Bis(pyridine-2-selenolato-N,Se)-dicarbonyliron
• Formula: C12 H8 Fe N2 O2 Se2
• Calculated formula: C12 H8 Fe N2 O2 Se2
• SMILES: [Se]1[Fe]2([Se]c3[n]2cccc3)([n]2c1cccc2)(C#[O])C#[O]
• Title of publication: Coordination Chemistry of 2,2'-Dipyridyl Diselenide: X-ray Crystal Structures of PySeSePy, [Zn(PySeSePddy)Cl~2~], [(PySeSePy):Hg(C~6~F~5~)~2~], [Mo(SePy)~2~(CO)~3~], [W(SePy)~2~(CO)~3~], and [Fe(SePy)~2~(CO)~2~] (PySeSePy = C~5~H~4~NSeSeC~5~H~4~N; SePy = [C~5~H~4~N(2-Se)-N,Se])
• Authors of publication: Carsten O. Kienitz; Carsten Thöne; Peter G. Jones
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 3990 - 3997
• a: 8.6691 ± 0.0014 Å
• b: 12.443 ± 0.002 Å
• c: 14.085 ± 0.002 Å
• α: 105.811 ± 0.01°
• β: 107.533 ± 0.008°
• γ: 92.075 ± 0.01°
• Cell volume: 1382.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.092
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections: 0.1451
• Weighted residual factors for significantly intense reflections: 0.1253
• Goodness-of-fit parameter for all reflections: 0.962
• Goodness-of-fit parameter for significantly intense reflections: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No