Information card for entry 1564098

Structure parameters

• Formula: C18 H20.31 N2 Ni O5.16
• Calculated formula: C18 H20.312 N2 Ni O5.156
• Title of publication: On new solvatomorphs of the metalloligand [Ni(o-van-en)]
• Authors of publication: Vráblová, Anna; Tomás, Milagros; Titiš, Ján; Černák, Juraj; Falvello, Larry R.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 512
• Pages of publication: 119874
• a: 19.6607 ± 0.0006 Å
• b: 11.8032 ± 0.0004 Å
• c: 15.0266 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3487.06 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0394
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No