Information card for entry 2101641

Structure parameters

• Formula: C4 H8 Ni O8
• Calculated formula: C4 H8 Ni O8
• Title of publication: Structural relationship of various squarates
• Authors of publication: Lee, Chi-Rung; Wang, Chih-Chieh; Wang, Yu
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 966 - 975
• a: 8.9315 ± 0.0016 Å
• b: 13.246 ± 0.003 Å
• c: 6.6893 ± 0.0018 Å
• α: 90°
• β: 99.43 ± 0.02°
• γ: 90°
• Cell volume: 780.7 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.025
• Goodness-of-fit parameter for significantly intense reflections: 2.58
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No