Information card for entry 2218970

Structure parameters

• Chemical name: Bis(nitrato-κ<i>O</i>)[(<i>S</i>)-2-(pyrrolidin-2-yl)-1<i>H</i>- benzimidazole]cadmium(II)
• Formula: C22 H26 Cd N8 O6
• Calculated formula: C22 H26 Cd N8 O6
• SMILES: c12ccccc1[nH]c1[n]2[Cd]2([n]3c4ccccc4[nH]c3[C@H]3CCC[NH]23)([NH]2[C@H]1CCC2)(ON(=O)=O)ON(=O)=O
• Title of publication: Bis(nitrato-κ<i>O</i>)[(<i>S</i>)-2-(pyrrolidin-2-yl)-1<i>H</i>-benzimidazole]cadmium(II)
• Authors of publication: Dai, Wei; Fu, Da-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m1017
• a: 8.1487 ± 0.0016 Å
• b: 9.1459 ± 0.0018 Å
• c: 9.7439 ± 0.0019 Å
• α: 111.67 ± 0.03°
• β: 112.32 ± 0.03°
• γ: 93.8 ± 0.03°
• Cell volume: 606 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No