Information card for entry 4332856

Structure parameters

• Formula: C14 H15 Cu N3 O6
• Calculated formula: C14 H15 Cu N3 O6
• SMILES: [Cu]12([OH2])(OC(=O)C)[n]3c(C(=O)N1C(=O)c1[n]2cccc1)cccc3
• Title of publication: Cu(NO3)2·3H2O-Mediated Synthesis of 4‘-(2-Pyridyl)-2,2‘:6‘,2‘ ‘-terpyridine (L2) fromN-(2-Pyridylmethyl)pyridine-2-methylketimine (L1). A C−C Bond-Forming Reaction and the Structure of {[Cu(L2)(OH)(NO3)][Cu(L2)(NO3)2]}·2H2O†
• Authors of publication: Padhi, Sumanta Kumar; Manivannan, Vadivelu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 7994 - 7996
• a: 7.3994 ± 0.0002 Å
• b: 8.6119 ± 0.0003 Å
• c: 13.0072 ± 0.0004 Å
• α: 74.598 ± 0.002°
• β: 84.827 ± 0.002°
• γ: 80.993 ± 0.002°
• Cell volume: 788.21 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No