Information card for entry 7058917

Structure parameters

• Formula: C24 H18 Cl2 N2 Ni O2
• Calculated formula: C24 H18 Cl2 N2 Ni O2
• 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: 7.954 ± 0.0001 Å
• b: 13.9375 ± 0.0003 Å
• c: 19.6479 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2178.14 ± 0.07 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P c a n
• Hall space group symbol: -P 2n 2c
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No