Information card for entry 7055031

Structure parameters

• Chemical name: compound-3
• Formula: C26 H28 Cl2 Cu N4 Se4
• Calculated formula: C26 H28 Cl2 Cu N4 Se4
• SMILES: c1cccc([n]1[Cu](Cl)([n]1ccccc1[Se]CCC[Se]c1ncccc1)Cl)[Se]CCC[Se]c1ncccc1
• 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: 8.2538 ± 0.001 Å
• b: 8.7192 ± 0.001 Å
• c: 11.6817 ± 0.0012 Å
• α: 87.058 ± 0.009°
• β: 81.017 ± 0.009°
• γ: 62.798 ± 0.008°
• Cell volume: 738.35 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0498
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.781
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No