Information card for entry 7016174

Structure parameters

• Common name: 1476 (Cu(SPN-iPr)2)PF6 at 100K
• Formula: C22 H38 Cu F6 N4 P3 S2
• Calculated formula: C22 H38 Cu F6 N4 P3 S2
• SMILES: [Cu]12([S]=P(Nc3[n]1cccc3)(C(C)C)C(C)C)[S]=P(Nc1[n]2cccc1)(C(C)C)C(C)C.[P](F)(F)(F)(F)(F)[F-]
• 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: 7.877 ± 0.0006 Å
• b: 13.3222 ± 0.001 Å
• c: 14.8577 ± 0.0011 Å
• α: 90°
• β: 101.953 ± 0.001°
• γ: 90°
• Cell volume: 1525.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No