Information card for entry 2200322

Structure parameters

• Chemical name: Tetraaqua[3-(1H-imidazol-4-yl)-2-(6-{N-[(1H-imidazol-4-yl)-1-carboxylatoethyl]- carbamoyl}-2-pyridylcarbonylamino)propionato]nickel(II) pentahydrate
• Formula: C19 H35 N7 Ni O15
• Calculated formula: C19 H35 N7 Ni O15
• Title of publication: Tetraaqua[3-(1<i>H</i>-imidazol-4-yl)-2-(6-{<i>N</i>-[(1<i>H</i>-imidazol-4-yl)-1-carboxylatoethyl]carbamoyl}-2-pyridylcarbonylamino)propionato]nickel(II) pentahydrate
• Authors of publication: Joussef, Antônio C.; Ceccato, Augusto S.; Bortoluzzi, Adailton J.; de Brito, Marcos A.; Drechsel, Sueli M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: m224 - m226
• a: 9.61 ± 0.002 Å
• b: 11.313 ± 0.002 Å
• c: 13.455 ± 0.003 Å
• α: 80.96 ± 0.03°
• β: 81.45 ± 0.03°
• γ: 77.78 ± 0.03°
• Cell volume: 1401.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes