Information card for entry 7059367

Structure parameters

• Formula: C30 H28 Br2 N4 Se2 Zn
• Calculated formula: C30 H28 Br2 N4 Se2 Zn
• SMILES: Br[Zn]([Se]=C1N(C=CN1Cc1c2c(cccc2)ccc1)C)(Br)[Se]=C1N(C)C=CN1Cc1c2c(ccc1)cccc2
• Title of publication: Homoleptic and heteroleptic Zn(ii) selone catalysts for thioetherification of aryl halides without scrubbing oxygen
• Authors of publication: Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 9
• Pages of publication: 3574 - 3583
• a: 8.355 ± 0.0007 Å
• b: 11.584 ± 0.0008 Å
• c: 16.3071 ± 0.0011 Å
• α: 92.9 ± 0.006°
• β: 96.6 ± 0.006°
• γ: 92.887 ± 0.006°
• Cell volume: 1563.3 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0975
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.2165
• Weighted residual factors for all reflections included in the refinement: 0.3002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1837
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No