Information card for entry 4324741

Structure parameters

• Formula: C18 H15 N5 Ni O
• Calculated formula: C18 H15 N5 Ni O
• Title of publication: Complexation of Metal Ions, Including Alkali-Earth and Lanthanide(III) Ions, in Aqueous Solution by the Ligand 2,2',6',2''-Terpyridyl
• Authors of publication: Joanna M. Hamilton; Michael J. Anhorn; Karen A. Oscarson; Joseph H. Reibenspies; Robert D. Hancock
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 2764 - 2770
• a: 8.644 ± 0.003 Å
• b: 9.84 ± 0.003 Å
• c: 20.162 ± 0.006 Å
• α: 97.355 ± 0.005°
• β: 97.1 ± 0.005°
• γ: 98.606 ± 0.005°
• Cell volume: 1663.7 ± 0.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0375
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No