Information card for entry 2243146

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[(1,3-dibenzyl-4,5-diphenyl-2-selenoimidazole-κ<i>Se</i>)copper(I)]-μ-cyanido-κ^2^<i>C</i>:<i>N</i>] acetonitrile monosolvate]
• Formula: C32 H27 Cu N4 Se
• Calculated formula: C32 H27 Cu N4 Se
• Title of publication: Unexpected reactions of NHC*—Cu^I^ and —Ag^I^ bromides with potassium thio- or selenocyanate
• Authors of publication: Tacke, Matthias; Marhöfer, Daniel; Althani, Hessah; Müller-Bunz, Helge
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 11
• Pages of publication: 1657 - 1663
• a: 13.7704 ± 0.0003 Å
• b: 14.3398 ± 0.0003 Å
• c: 28.4102 ± 0.0007 Å
• α: 90°
• β: 93.024 ± 0.002°
• γ: 90°
• Cell volume: 5602.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0546
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes