Information card for entry 7058084

Structure parameters

• Formula: C41 H34 Cl Cu N P2 Se
• Calculated formula: C41 H34 Cl Cu N P2 Se
• Title of publication: Copper complexes of arylselenolate-based ligands: synthesis and catalytic activity in azide‒alkyne cycloaddition reactions
• Authors of publication: Chauhan, Rohit Singh; Oza, Dhvani; Yadav, Seema; Dash, Chandrakanta; Slawin, Alexandra M. Z.; Shivran, Neelam
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 5
• Pages of publication: 2381
• a: 14.4786 ± 0.0002 Å
• b: 10.12288 ± 0.00017 Å
• c: 24.3681 ± 0.0004 Å
• α: 90°
• β: 93.7253 ± 0.0014°
• γ: 90°
• Cell volume: 3563.97 ± 0.1 ų
• Cell temperature: 125 K
• Ambient diffraction temperature: 125 K
• Number of distinct elements: 7
• 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: 0.0355
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No