Information card for entry 2019860

Structure parameters

• Chemical name: Tetraaquabis[2-(2-nitrophenyl)acetato-κ<i>O</i>]cobalt(II)
• Formula: C16 H20 Co N2 O12
• Calculated formula: C16 H20 Co N2 O12
• SMILES: N(=O)(=O)c1c(CC(=O)O[Co](OC(=O)Cc2ccccc2N(=O)=O)([OH2])([OH2])([OH2])[OH2])cccc1
• Title of publication: Tetraaquabis[2-(2-nitrophenyl)acetato-κO]cobalt(II)
• Authors of publication: Danish, Muhammad; Tahir, Muhammad Nawaz; Iftikhar, Sana; Raza, Muhammad Asam; Ashfaq, Muhammad
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 3
• Pages of publication: m59
• a: 5.4431 ± 0.0003 Å
• b: 6.4313 ± 0.0004 Å
• c: 28.5697 ± 0.0015 Å
• α: 90°
• β: 92.762 ± 0.002°
• γ: 90°
• Cell volume: 998.96 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0323
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes