Information card for entry 4509245

Structure parameters

• Formula: C17.5 H20 N2 Ni O3.5
• Calculated formula: C17.5 H20 N2 Ni O3.5
• Title of publication: Ni(salen): a System That Forms Many Solvates with Interacting Ni Atoms
• Authors of publication: Siegler, Maxime A.; Lutz, Martin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 1194
• a: 18.3435 ± 0.0005 Å
• b: 6.7923 ± 0.0002 Å
• c: 26.7611 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3334.29 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No