Information card for entry 7058916

Structure parameters

• Formula: C25.2 H22.4 Cl2 N2 Ni O3
• Calculated formula: C25.2 H22.4 Cl2 N2 Ni O3
• Title of publication: Investigating the isolation and interconversion of two diastereoisomers in an octahedral system
• Authors of publication: Danelli, Panagiota; Tsantis, Sokratis T.; Kitos, Alexandros; Psycharis, Vassilis; Raptopoulou, Catherine P.; Tsipis, Athanassios; Perlepes, Spyros P.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• a: 10.5379 ± 0.0002 Å
• b: 9.1919 ± 0.0002 Å
• c: 25.3211 ± 0.0005 Å
• α: 90°
• β: 95.362 ± 0.001°
• γ: 90°
• Cell volume: 2441.95 ± 0.09 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No