Information card for entry 4322601

Structure parameters

• Formula: C19 H21 Cl2 N5 O10 Zn
• Calculated formula: C19 H21 Cl2 N5 O10 Zn
• SMILES: [Zn]12([O](Cc3[n]1c1ccccc1[nH]3)Cc1[n]2c2c(n1C)cccc2)([OH2])[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Coordination of Zn(II), Cd(II), Hg(II), and Ag(I) by Bis(benzimidazole) Ligands
• Authors of publication: Craig J. Matthews; William Clegg; Sarah L. Heath; Nicola C. Martin; M. N. Stuart Hill; Joyce C. Lockhart
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 199 - 207
• a: 10.3247 ± 0.0011 Å
• b: 11.032 ± 0.0012 Å
• c: 20.761 ± 0.002 Å
• α: 90°
• β: 96.465 ± 0.003°
• γ: 90°
• Cell volume: 2349.7 ± 0.4 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• 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: 0.0786
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections: 0.1407
• Weighted residual factors for significantly intense reflections: 0.1216
• Goodness-of-fit parameter for all reflections: 1.093
• Goodness-of-fit parameter for significantly intense reflections: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No