Information card for entry 2216290

Structure parameters

• Chemical name: Tris(2,2'-bi-1H-imidazole)cadmium(II) carbonate
• Formula: C19 H18 Cd N12 O3
• Calculated formula: C19 H18 Cd N12 O3
• SMILES: c12c3[nH]cc[n]3[Cd]34([n]2cc[nH]1)([n]1cc[nH]c1c1[n]4cc[nH]1)[n]1c(c2[nH]cc[n]32)[nH]cc1.[O-]C(=O)[O-]
• Title of publication: Tris(2,2'-bi-1<i>H</i>-imidazole)cadmium(II) carbonate
• Authors of publication: Minna Cao; Bo Hu; Feihua Luo; Cuixia Cheng; Zongqiu Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m2927 - m2927
• a: 12.3477 ± 0.0008 Å
• b: 12.3477 ± 0.0008 Å
• c: 14.7379 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2247 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 80
• Hermann-Mauguin space group symbol: I 41
• Hall space group symbol: I 4bw
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes