Information card for entry 7016171

Structure parameters

• Common name: 1459 (CuI(SePN-iPr)) at 296K
• Formula: C11 H19 Cu I N2 P Se
• Calculated formula: C11 H19 Cu I N2 P Se
• SMILES: I[Cu]1[Se]=P(Nc2[n]1cccc2)(C(C)C)C(C)C
• Title of publication: Tri- and tetracoordinate copper(i) complexes bearing bidentate soft/hard SN and SeN ligands based on 2-aminopyridine.
• Authors of publication: Oztopcu, Ozgür; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 26
• Pages of publication: 7008 - 7021
• a: 10.4116 ± 0.0006 Å
• b: 13.4179 ± 0.0007 Å
• c: 11.6623 ± 0.0006 Å
• α: 90°
• β: 97.501 ± 0.002°
• γ: 90°
• Cell volume: 1615.3 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0517
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No