Information card for entry 2231799

Structure parameters

• Chemical name: Tris(2,2'-bi-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)cobalt(II) hydrogen phosphate
• Formula: C18 H19 Co N12 O4 P
• Calculated formula: C18 H19 Co N12 O4 P
• SMILES: [Co]123([n]4cc[nH]c4c4[n]1cc[nH]4)([n]1cc[nH]c1c1[n]2cc[nH]1)[n]1cc[nH]c1c1[n]3cc[nH]1.P(=O)(O)([O-])[O-]
• Title of publication: Tris(2,2'-bi-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)cobalt(II) hydrogen phosphate
• Authors of publication: Liang, Zhiqiang; Wang, Fuxiang; Wu, Qihui; Zhi, Xia; Pan, Qinhe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1399
• a: 12.7 ± 0.003 Å
• b: 21.447 ± 0.004 Å
• c: 9.114 ± 0.0018 Å
• α: 90°
• β: 95.84 ± 0.03°
• γ: 90°
• Cell volume: 2469.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1428
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes