Information card for entry 2222815

Structure parameters

• Chemical name: Di-μ-sulfato-κ^4^<i>O</i>:<i>O</i>'-bis[diaqua(imidazo[4,5- <i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>^7^,<i>N</i>^9^)cobalt(II)] dihydrate
• Formula: C26 H28 Co2 N8 O14 S2
• Calculated formula: C26 H28 Co2 N8 O14 S2
• SMILES: c1[n]2c3c4[n]([Co]52(OS(=O)(=O)O[Co]2([n]6c7c8c(ccc[n]28)c2[nH]cnc2c7ccc6)(OS(=O)(=O)O5)([OH2])[OH2])([OH2])[OH2])cccc4c2nc[nH]c2c3cc1.O.O
• Title of publication: Di-μ-sulfato-κ^4^<i>O</i>:<i>O</i>'-bis[diaqua(1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>^7^,<i>N</i>^9^)cobalt(II)] dihydrate
• Authors of publication: Gong, Yun; Zhou, Yuchao; Li, Jinghua; Wu, Xiaoxia; Qin, Jianbo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m844 - m845
• a: 10.316 ± 0.0013 Å
• b: 9.0716 ± 0.001 Å
• c: 16.8549 ± 0.0017 Å
• α: 90°
• β: 99.104 ± 0.001°
• γ: 90°
• Cell volume: 1557.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes