Information card for entry 2212626

Structure parameters

• Chemical name: Bis[(naphthaleneacetato)(1H-benzimidazole)]cadmium(II) monohydrate
• Formula: C38 H32 Cd N4 O5
• Calculated formula: C38 H32 Cd N4 O5
• SMILES: C1(Cc2cccc3ccccc23)=[O][Cd]2([n]3c[nH]c4c3cccc4)(O1)([n]1c[nH]c3c1cccc3)[O]=C(Cc1cccc3ccccc13)O2.O
• Title of publication: Bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)bis(naphthalene-2-acetato-κ^2^<i>O</i>,<i>O</i>')cadmium(II) monohydrate
• Authors of publication: Liu, Ji-Wei; Wu, Song; Duan, Ji-Guo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m692 - m694
• a: 11.8418 ± 0.0002 Å
• b: 20.0552 ± 0.0004 Å
• c: 14.3436 ± 0.0004 Å
• α: 90°
• β: 106.571 ± 0.001°
• γ: 90°
• Cell volume: 3264.98 ± 0.13 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.0263
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes