Information card for entry 7206796

Structure parameters

• Formula: C12 H22 Cl Cu N5 O11
• Calculated formula: C12 H22 Cl Cu N5 O11
• SMILES: [Cu]12(OC(=O)C(=O)O1)[n]1cc[nH]c1C([NH2+]C(C)C)c1[n]2cc[nH]1.O.Cl(=O)(=O)(=O)[O-].O.O
• Title of publication: Tripodal bis(imidazole)-based ligands and their chelation to copper(ii)
• Authors of publication: Chen, Wei; Chu, Jinfeng; Mutikainen, Ilpo; Reedijk, Jan; Turpeinen, Urho; Song, Yu-Fei
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 24
• Pages of publication: 7299
• a: 7.6833 ± 0.0018 Å
• b: 9.5255 ± 0.0019 Å
• c: 13.551 ± 0.004 Å
• α: 85.33 ± 0.007°
• β: 87.06 ± 0.006°
• γ: 80.222 ± 0.007°
• Cell volume: 973.4 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0335
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No