Information card for entry 2232839

Structure parameters

• Chemical name: Aqua{tris[(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)methyl]amine}zinc 5-(dimethylamino)naphthalene-1-sulfonate perchlorate 2.5-hydrate
• Formula: C36 H40 Cl N8 O10.5 S Zn
• Calculated formula: C36 H40 Cl N8 O10.5 S Zn
• Title of publication: Aqua{tris[(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)methyl]amine}zinc 5-(dimethylamino)naphthalene-1-sulfonate perchlorate 2.5-hydrate
• Authors of publication: Xiao, Zuo-an; Jiang, Ting-ting
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1755
• a: 26.327 ± 0.002 Å
• b: 12.4462 ± 0.001 Å
• c: 25.166 ± 0.002 Å
• α: 90°
• β: 100.242 ± 0.002°
• γ: 90°
• Cell volume: 8114.8 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.1801
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes