Information card for entry 2205810

Structure parameters

• Chemical name: Bis(aqua)bis(benzimidazole-κN)bis(5-fluorouracil-1-acetate-κO)cobalt(II)
• Formula: C26 H24 Co F2 N8 O10
• Calculated formula: C26 H24 Co F2 N8 O10
• SMILES: C(=O)(CN1C(=O)NC(=O)C(=C1)F)O[Co]([n]1c[nH]c2c1cccc2)([n]1c[nH]c2c1cccc2)(OC(=O)CN1C(=O)NC(=O)C(=C1)F)([OH2])[OH2]
• Title of publication: Bis(aqua)bis(benzimidazole-κ<i>N</i>)bis(5-fluorouracil-1-acetate-κ<i>O</i>)cobalt(II)
• Authors of publication: Mao-Lin Hu; Nan-Wen Zhu; Hong-Ping Xiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m898 - m900
• a: 7.368 ± 0.013 Å
• b: 8.368 ± 0.014 Å
• c: 12.07 ± 0.02 Å
• α: 88.59 ± 0.03°
• β: 88.38 ± 0.03°
• γ: 69.92 ± 0.03°
• Cell volume: 699 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No