Information card for entry 4507461

Structure parameters

• Formula: C21 H18 Ni0.5 O7
• Calculated formula: C21 H16 Ni0.5 O7
• Title of publication: Synthesis, Characterization, and Adsorption Studies of Nickel(II), Zinc(II), and Magnesium(II) Coordination Frameworks of BTTB
• Authors of publication: Karra, Jagadeswara R.; Huang, You-Gui; Walton, Krista S.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 1075
• a: 6.2836 ± 0.0016 Å
• b: 10.732 ± 0.003 Å
• c: 14.356 ± 0.004 Å
• α: 95.441 ± 0.004°
• β: 98.941 ± 0.004°
• γ: 103.448 ± 0.004°
• Cell volume: 921.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1307
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.2188
• Weighted residual factors for all reflections included in the refinement: 0.2553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No