Information card for entry 2235080

Structure parameters

• Chemical name: Bis[2-(2-aminoethyl)-1<i>H</i>-benzimidazole- κ^2^<i>N</i>^2^,<i>N</i>^3^](nitrato-κ^2^<i>O</i>,<i>O</i>')cobalt(II) chloride trihydrate
• Formula: C18 H28 Cl Co N7 O6
• Calculated formula: C18 H28 Cl Co N7 O6
• SMILES: [Co]123([N]4c5ccccc5NC=4CC[NH2]1)([n]1c4ccccc4[nH]c1CC[NH2]2)ON(=[O]3)=O.[Cl-].O.O.O
• Title of publication: Bis[2-(2-aminoethyl)-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^](nitrato-κ^2^<i>O</i>,<i>O</i>')cobalt(II) chloride trihydrate
• Authors of publication: Zhao, Jing; Zhang, Heng; Zhu, Guoyi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m711 - m712
• a: 7.408 ± 0.002 Å
• b: 9.808 ± 0.003 Å
• c: 17.28 ± 0.006 Å
• α: 76.238 ± 0.007°
• β: 89.203 ± 0.007°
• γ: 67.867 ± 0.005°
• Cell volume: 1125.6 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes