Information card for entry 2227748

Structure parameters

• Chemical name: Aqua(hippurato)bis(1,10-phenanthroline)cobalt(II) nitrate monohydrate
• Formula: C33 H28 Co N6 O8
• Calculated formula: C33 H28 Co N6 O8
• SMILES: [Co]12([n]3cccc4c3c3[n]1cccc3cc4)([n]1cccc3c1c1[n]2cccc1cc3)(OC(=O)CNC(=O)c1ccccc1)[OH2].N(=O)(=O)[O-].O
• Title of publication: Aqua(hippurato)bis(1,10-phenanthroline)cobalt(II) nitrate monohydrate
• Authors of publication: Guo, Gui-Quan; Deng, Ji-Hua; Chen, Jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1415 - m1416
• a: 9.935 ± 0.002 Å
• b: 13.991 ± 0.003 Å
• c: 23.162 ± 0.005 Å
• α: 90°
• β: 91.37 ± 0.03°
• γ: 90°
• Cell volume: 3218.6 ± 1.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• 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: 0.1085
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes