Information card for entry 7011709

Structure parameters

• Chemical name: Bis[(S,S)-1,2-bis (1H-benzimidazol-2-yl) -1,2- ethanediol] copper(II) diperchlorate
• Formula: C73 H70 Cl6 Cu2 N20 O24
• Calculated formula: C73 H50 Cl6 Cu2 N20 O24
• SMILES: [Cu]1234([OH][C@H]([C@@H](O)c5[n]1c1ccccc1[nH]5)c1[n]2c2ccccc2[nH]1)[OH][C@H]([C@@H](O)c1[n]3c2ccccc2[nH]1)c1[n]4c2ccccc2[nH]1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].C(Cl)Cl.N#CC.N#CC
• Title of publication: 1,2-Bis(2-benzimidazolyl)-1,2-ethanediol, a chiral, tridentate, facially coordinating ligand
• Authors of publication: Katharina Isele; Vanessa Broughton; Craig J. Matthews; Alan F. Williams; Gérald Bernardinelli; Patrick Franz; Silvio Decurtins
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 20
• Pages of publication: 3899 - 3905
• a: 11.296 ± 0.001 Å
• b: 12.335 ± 0.001 Å
• c: 16.357 ± 0.001 Å
• α: 70.279 ± 0.005°
• β: 77.976 ± 0.005°
• γ: 76.047 ± 0.006°
• Cell volume: 2061.9 ± 0.3 ų
• Cell temperature: 200 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 2.7
• Diffraction radiation wavelength: 1.54183 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No