Information card for entry 2005618

Structure parameters

• Chemical name: α,α'-Bis(2-selenopyridine)-p-xylene
• Formula: C18 H16 N2 Se2
• Calculated formula: C18 H16 N2 Se2
• SMILES: C(c1ccc(C[Se]c2ncccc2)cc1)[Se]c1ncccc1
• Title of publication: α,α'-Bis(2-pyridylseleno)-<i>p</i>-xylene
• Authors of publication: Kienitz, C. O.; Thöne, C.; Jones, P. G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2847 - 2849
• a: 11.628 ± 0.003 Å
• b: 6.804 ± 0.002 Å
• c: 20.778 ± 0.005 Å
• α: 90°
• β: 96.12 ± 0.03°
• γ: 90°
• Cell volume: 1634.5 ± 0.8 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for all reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.0699
• Goodness-of-fit parameter for all reflections: 1.067
• Goodness-of-fit parameter for significantly intense reflections: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No