Information card for entry 2016003

Structure parameters

• Common name: Diaquabis(imidazole)(orotate)cobalt(II)
• Chemical name: mer-diaquabis(1H-imidazole-κN^3^)[1,2,3,6-tetrahydro-2,6-dioxopyrimidine- 4-carboxylato(2-)]cobalt(II)
• Formula: C11 H14 Co N6 O6
• Calculated formula: C11 H14 Co N6 O6
• SMILES: C1(=O)C2=CC(=O)NC(=O)N2[Co]([n]2c[nH]cc2)([n]2c[nH]cc2)(O1)([OH2])[OH2]
• Title of publication: <i>mer</i>-Diaquabis(1<i>H</i>-imidazole-κ<i>N</i>^3^)[orotato(2‒)]cobalt(II)
• Authors of publication: Yeşilel, Okan Zafer; Ölmez, Halis; Arıcı, Cengiz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m240 - m242
• a: 8.628 ± 0.001 Å
• b: 13.516 ± 0.001 Å
• c: 13.695 ± 0.001 Å
• α: 90°
• β: 99.978 ± 0.006°
• γ: 90°
• Cell volume: 1572.9 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes