Information card for entry 4509244

Structure parameters

• Formula: C18 H18 N2 Ni O4
• Calculated formula: C18 H18 N2 Ni O4
• SMILES: [Ni]123Oc4ccccc4C=[N]2CC[N]3=Cc2c(cccc2)O1.O=C(O)C
• 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: 11.4941 ± 0.0005 Å
• b: 7.3622 ± 0.0003 Å
• c: 10.015 ± 0.0006 Å
• α: 93.812 ± 0.002°
• β: 102.231 ± 0.002°
• γ: 100.008 ± 0.003°
• Cell volume: 810.94 ± 0.07 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: 0.0571
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No