Information card for entry 4306446

Structure parameters

• Formula: C37 H39 Cu N9 O4 P S
• Calculated formula: C37 H39 Cu N9 O4 P S
• SMILES: CC(=O)C.C12(n3ccc(c4ccccc4)[n]3[Cu]([n]3c(ccn13)c1ccccc1)([n]1c(ccn21)c1ccccc1)[P]12CN3CN(C2)CN(C1)C3)S(=O)(=O)[O-]
• Title of publication: Cu(I) Complexes Bearing the New Sterically Demanding and Coordination Flexible Tris(3-phenyl-1-pyrazolyl)methanesulfonate Ligand and the Water-Soluble Phosphine 1,3,5-Triaza-7-phosphaadamantane or Related Ligands
• Authors of publication: Riccardo Wanke; Piotr Smoleński; M. Fátima C. Guedes da Silva; Luísa M. D. R. S. Martins; Armando J. L. Pombeiro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10158 - 10168
• a: 13.799 ± 0.003 Å
• b: 20.73 ± 0.005 Å
• c: 26.676 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7631 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1721
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No