Information card for entry 7031200

Structure parameters

• Formula: C20 H22 N2 Se2
• Calculated formula: C20 H22 N2 Se2
• SMILES: [Se]1([Se]C#N)[N](=Cc2c1cccc2)c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis, structure and reactivity of [o-(2,6-diisopropylphenyliminomethinyl)phenyl]selenenyl selenocyanate (RSeSeCN) and related derivatives.
• Authors of publication: Rakesh, Prakul; Singh, Harkesh B.; Jasinski, Jerry P.; Golen, James A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 25
• Pages of publication: 9431 - 9437
• a: 10.0205 ± 0.0006 Å
• b: 11.4514 ± 0.0008 Å
• c: 16.4769 ± 0.0012 Å
• α: 90°
• β: 97.148 ± 0.006°
• γ: 90°
• Cell volume: 1876 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0493
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No