Information card for entry 7000487

Structure parameters

• Formula: C27 H35 Cu N5 O6
• Calculated formula: C27 H35 Cu N5 O6
• SMILES: [Cu]12(ON(=O)=O)(ON(=O)=O)[n]3ccc(cc3c3[n]1c(cc(c3)C(C)(C)C)c1[n]2ccc(c1)C(C)(C)C)C(C)(C)C
• Title of publication: Tris(t-butyl)terpyridine-copper(II) complexes and ligand field effects
• Authors of publication: Allenbaugh, Rachel J.; Rheingold, Arnold L.; Doerrer, Linda H.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 7
• Pages of publication: 1155 - 1163
• a: 12.7606 ± 0.0006 Å
• b: 15.7273 ± 0.0007 Å
• c: 14.1786 ± 0.0007 Å
• α: 90°
• β: 102.698 ± 0.002°
• γ: 90°
• Cell volume: 2775.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0438
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No