Information card for entry 2216051

Structure parameters

• Chemical name: Bis[1,3-bis(1<i>H</i>-benzimidazol-2-yl)benzene-κN^3^]bis(nitrato- κ^2^<i>O</i>,<i>O</i>')cadmium(II) dihydrate
• Formula: C40 H32 Cd N10 O8
• Calculated formula: C40 H32 Cd N10 O8
• SMILES: c12ccccc1[nH]c(c1cccc(c1)c1[nH]c3c(n1)cccc3)[n]2[Cd]12([n]3c4ccccc4[nH]c3c3cccc(c3)c3[nH]c4c(n3)cccc4)(ON(=[O]1)=O)ON(=[O]2)=O.O.O
• Title of publication: Bis[1,3-bis(1<i>H</i>-benzimidazol-2-yl)benzene-κ<i>N</i>^3^]bis(nitrato-κ^2^<i>O</i>,<i>O</i>')cadmium(II) dihydrate
• Authors of publication: Meng, Fa-Yan; Zhang, Yi-Ming; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2752 - m2752
• a: 14.359 ± 0.001 Å
• b: 16.809 ± 0.001 Å
• c: 16.78 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4050 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes