Information card for entry 4323844

Structure parameters

• Chemical name: Bis(pyridine-2-selenolato-N,Se)-tricarbonylmolybdenum
• Formula: C13 H8 Mo N2 O3 Se2
• Calculated formula: C13 H8 Mo N2 O3 Se2
• SMILES: [Mo]12([Se]c3[n]1cccc3)([Se]c1[n]2cccc1)(C#[O])(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: 9.319 ± 0.003 Å
• b: 12.886 ± 0.005 Å
• c: 13.231 ± 0.006 Å
• α: 90°
• β: 109.23 ± 0.03°
• γ: 90°
• Cell volume: 1500.2 ± 1.1 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for all reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.0732
• Goodness-of-fit parameter for all reflections: 1.099
• Goodness-of-fit parameter for significantly intense reflections: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No