Information card for entry 4321533

Structure parameters

• Formula: C36 H33 Cu2 N10 O21 S3
• Calculated formula: C36 H33 Cu2 N10 O21 S3
• SMILES: [Cu]123(OS(=O)(=O)O)[n]4c([C@H]5[N]6[Cu]7(O)([n]8ccccc8C=6N[C@H]5c5[n]1cccc5)[n]1c([C@H]5[N]3=C(N[C@H]5c3[n]7cccc3)c3[n]2cccc3)cccc1)cccc4.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)O.O.O.O.O.O.O.O.O.[Cu]123(OS(=O)(=O)O)[n]4c([C@@H]5[N]6[Cu]7(O)([n]8ccccc8C=6N[C@@H]5c5[n]1cccc5)[n]1c([C@@H]5[N]3=C(N[C@@H]5c3[n]7cccc3)c3[n]2cccc3)cccc1)cccc4.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)O.O.O.O.O.O.O.O.O
• Title of publication: Synthesis and Structure of Dimeric [(cis-Py3Im)M]2 Complexes [M = Ni, Cu, Zn; (cis-Py3Im) = cis-2,4,5-Tri(2-pyridyl)imidazoline]
• Authors of publication: Miguel Parra-Hake; Martin L. Larter; Peter Gantzel; Gerardo Aguirre; Fernando Ortega; Ratnasamy Somanathan; Patrick J. Walsh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5400 - 5403
• a: 12.392 ± 0.002 Å
• b: 25.242 ± 0.002 Å
• c: 15.0499 ± 0.0012 Å
• α: 90°
• β: 95.93 ± 0.009°
• γ: 90°
• Cell volume: 4682.4 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• 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: 0.0807
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections: 0.2513
• Weighted residual factors for significantly intense reflections: 0.1553
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for significantly intense reflections: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No