Information card for entry 7055030

Structure parameters

• Chemical name: compound-2
• Formula: C22 H20 Cu4 I4 N4 Se4
• Calculated formula: C22 H20 Cu4 I4 N4 Se4
• SMILES: c1cccc2[n]1[Cu]134[I]5[Cu]67([n]8c(cccc8)[Se]C[Se]27)[I][Cu]256[I]3[Cu]34([I]1)[n]1c(cccc1)[Se]C[Se]3c1cccc[n]21
• Title of publication: Metal complexes with bis(2-pyridyl)diselenoethers: structural chemistry and catalysis
• Authors of publication: Cargnelutti, Roberta; da Silva, Felipe Dornelles; Abram, Ulrich; Lang, Ernesto Schulz
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 7948
• a: 9.086 ± 0.0002 Å
• b: 9.1684 ± 0.0002 Å
• c: 10.5159 ± 0.0003 Å
• α: 70.96 ± 0.001°
• β: 88.276 ± 0.001°
• γ: 77.37 ± 0.001°
• Cell volume: 807.25 ± 0.03 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0243
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.0489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No