Information card for entry 4313182

Structure parameters

• Formula: C20 H21 Cu N5 O6
• Calculated formula: C20 H21 Cu N5 O6
• SMILES: [Cu]12(ON(=O)=O)(ON(=O)=O)[n]3c(C)cccc3C(c3[n]1c(C)ccc3)(c1[n]2c(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: 8.222 ± 0.003 Å
• b: 13.983 ± 0.004 Å
• c: 9.332 ± 0.003 Å
• α: 90°
• β: 103.24 ± 0.03°
• γ: 90°
• Cell volume: 1044.4 ± 0.6 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections: 1.985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.99
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No