Information card for entry 7016175

Structure parameters

• Common name: 1499 (Cu2(SPN-Ph)2(CH3CN)2)(SbF6)2.2(Et2O) at 100K
• Formula: C46 H56 Cu2 F12 N6 O2 P2 S2 Sb2
• Calculated formula: C46 H56 Cu2 F12 N6 O2 P2 S2 Sb2
• SMILES: c12cccc[n]1[Cu]13([N]#CC)[S](=P(c4ccccc4)(N2)c2ccccc2)[Cu]23([n]3c(cccc3)NP(c3ccccc3)(=[S]12)c1ccccc1)[N]#CC.F[Sb](F)(F)(F)([F-])F.O(CC)CC.F[Sb](F)(F)(F)(F)[F-].O(CC)CC
• 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: 9.2387 ± 0.0005 Å
• b: 14.4373 ± 0.0007 Å
• c: 21.7631 ± 0.0011 Å
• α: 90°
• β: 102.035 ± 0.002°
• γ: 90°
• Cell volume: 2839 ± 0.3 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: 0.0253
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No