Information card for entry 4509242

Structure parameters

• Formula: C17 H15 Cl3 N2 Ni O2
• Calculated formula: C17 H15 Cl3 N2 Ni O2
• 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: 14.2272 ± 0.0004 Å
• b: 6.9948 ± 0.0003 Å
• c: 18.3352 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1824.65 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No