Information card for entry 1564099

Structure parameters

• Formula: C20 H26 N2 Ni O6
• Calculated formula: C20 H26 N2 Ni O6
• 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: 7.846 ± 0.0002 Å
• b: 11.4533 ± 0.0003 Å
• c: 12.2907 ± 0.0003 Å
• α: 76.702 ± 0.002°
• β: 79.967 ± 0.002°
• γ: 70.233 ± 0.002°
• Cell volume: 1005.9 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0267
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No