Information card for entry 2226337

Structure parameters

• Chemical name: Tetraaquabis(orotato-κ<i>O</i>)cobalt(II) dihydrate
• Formula: C10 H18 Co N4 O14
• Calculated formula: C10 H18 Co N4 O14
• SMILES: [OH2][Co](OC(=O)C1=CC(=O)NC(=O)N1)(OC(=O)C1=CC(=O)NC(=O)N1)([OH2])([OH2])[OH2].O.O
• Title of publication: Tetraaquabis(orotato-κ<i>O</i>)cobalt(II) dihydrate
• Authors of publication: Ay, Ahmet Nedim; Köse, Dursun Ali; Tercan, Barış; Yüksel, Fatma; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m612 - m613
• a: 9.8715 ± 0.0005 Å
• b: 13.1514 ± 0.0007 Å
• c: 6.7281 ± 0.0003 Å
• α: 90°
• β: 92.224 ± 0.003°
• γ: 90°
• Cell volume: 872.81 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.058
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes