Information card for entry 7016172

Structure parameters

• Common name: 1528 (Cu(NHC)(SPN-Ph))SbF6.((CH3)2CO) at 100K
• Formula: C47 H57 Cu F6 N4 O P S Sb
• Calculated formula: C47 H57 Cu F6 N4 O P S Sb
• SMILES: [Cu]1([S]=P(Nc2[n]1cccc2)(c1ccccc1)c1ccccc1)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.[Sb](F)(F)(F)(F)([F-])F.O=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: 12.8052 ± 0.0005 Å
• b: 28.015 ± 0.0012 Å
• c: 13.2949 ± 0.0006 Å
• α: 90°
• β: 92.056 ± 0.002°
• γ: 90°
• Cell volume: 4766.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No