Information card for entry 8106539

Structure parameters

• Formula: C27 H18 N6 Ni O7
• Calculated formula: C27 H18 N6 Ni O7
• Title of publication: Crystal structure of (bis(2,2′-bipyridine-κ 2 N,N′))-(3,5-dinitrosalicylato-κ 2 O,O′)nickel(II), C27H18N6NiO7
• Authors of publication: Xie, Guixiang; Tang, Zhiwei; Dong, Yan; Wen, Decai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 3
• Pages of publication: 367 - 369
• a: 8.0981 ± 0.0015 Å
• b: 21.66 ± 0.003 Å
• c: 14.17 ± 0.002 Å
• α: 90°
• β: 95.215 ± 0.004°
• γ: 90°
• Cell volume: 2475.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0854
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No