Information card for entry 4313179

Structure parameters

• Formula: C20 H21 Cu N3 O4 S
• Calculated formula: C20 H21 Cu N3 O4 S
• SMILES: [Cu]123(OS(=O)(=O)O1)[n]1c(C)cccc1C(c1[n]2c(C)ccc1)(c1[n]3c(C)ccc1)C
• Title of publication: Structural Modulation of Cu(I) and Cu(II) Complexes of Sterically Hindered Tripyridine Ligands by the Bridgehead Alkyl Groups
• Authors of publication: Masahito Kodera; Yuuji Kajita; Yoshimitsu Tachi; Koji Kano
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1193 - 1203
• a: 9.142 ± 0.003 Å
• b: 13.708 ± 0.004 Å
• c: 8.239 ± 0.003 Å
• α: 90.54 ± 0.02°
• β: 104.4 ± 0.03°
• γ: 103.02 ± 0.02°
• Cell volume: 972 ± 0.6 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.035
• Goodness-of-fit parameter for all reflections: 1.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No