Information card for entry 7110164

Structure parameters

• Formula: C40 H76 Cu2 F6 N4 O6 P4 S2
• Calculated formula: C40 H76 Cu2 F6 N4 O6 P4 S2
• SMILES: C12N(C=CN1P(C(C)(C)C)C(C)(C)C)[P](C(C)(C)C)(C(C)(C)C)[Cu]1[Cu]=2[P](C(C)(C)C)(C(C)(C)C)N2C=1N(C=C2)[P](C(C)(C)C)C(C)(C)C.FC(S(=O)(=O)[O-])(F)F.FC(F)(F)S(=O)(=O)[O-]
• Title of publication: A novel, rigid diphosphine with an active NHC spacer; di- and trinuclear complexes of d10 coinage metals
• Authors of publication: Pengfei Ai; Andreas A. Danopoulos; Pierre Braunstein; Kirill Yu. Monakhovc
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 50
• Pages of publication: 103
• a: 8.8473 ± 0.0005 Å
• b: 13.1451 ± 0.0007 Å
• c: 23.5989 ± 0.0013 Å
• α: 90°
• β: 94.395 ± 0.001°
• γ: 90°
• Cell volume: 2736.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.119
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.2009
• Weighted residual factors for all reflections included in the refinement: 0.2284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No