Information card for entry 4322603

Structure parameters

• Formula: C19 H22 Br2 Hg N4 O S
• Calculated formula: C19 H22 Br2 Hg N4 O S
• SMILES: Br[Hg]1(Br)[n]2c3cc(C)c(C)cc3[nH]c2CSCc2[nH]c3ccccc3[n]12.OC
• 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: 9.1956 ± 0.0012 Å
• b: 9.9775 ± 0.0013 Å
• c: 12.462 ± 0.002 Å
• α: 99.239 ± 0.003°
• β: 97.676 ± 0.003°
• γ: 94.036 ± 0.003°
• Cell volume: 1113.5 ± 0.3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for all reflections: 0.1122
• Weighted residual factors for significantly intense reflections: 0.1067
• Goodness-of-fit parameter for all reflections: 1.088
• Goodness-of-fit parameter for significantly intense reflections: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No