Information card for entry 7016170

Structure parameters

• Common name: 1480 (CuI(SPN-iPr)) at 100K
• Formula: C11 H19 Cu I N2 P S
• Calculated formula: C11 H19 Cu I N2 P S
• SMILES: I[Cu]1[S]=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: 10.3862 ± 0.0012 Å
• b: 13.2474 ± 0.0016 Å
• c: 11.5122 ± 0.0014 Å
• α: 90°
• β: 98.43 ± 0.001°
• γ: 90°
• Cell volume: 1566.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0178
• Residual factor for significantly intense reflections: 0.0165
• Weighted residual factors for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections included in the refinement: 0.0437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No