Information card for entry 2214176

Structure parameters

• Chemical name: {Tris[2-(1H-imidazol-2-ylmethyleneamino-κ^2^N,N')ethyl]amine}cobalt(II) bis(perchlorate) hemihydrate
• Formula: C18 H24 Cl2 Co N10 O8.5
• Calculated formula: C18 H24 Cl2 Co N10 O8.5
• SMILES: [Co]12345[N](CCN(CC[N]2=Cc2[nH]cc[n]32)CC[N]4=Cc2[nH]cc[n]52)=Cc2nccn12.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: {Tris[2-(1<i>H</i>-imidazol-2-ylmethyleneamino-κ^2^<i>N</i>,<i>N</i>')ethyl]amine}cobalt(II) bis(perchlorate) hemihydrate
• Authors of publication: He, Hongshan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1933 - m1934
• a: 9.1219 ± 0.0018 Å
• b: 19.005 ± 0.004 Å
• c: 28.251 ± 0.006 Å
• α: 90°
• β: 95.28 ± 0.03°
• γ: 90°
• Cell volume: 4876.9 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1875
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes