Information card for entry 7051351

Structure parameters

• Chemical name: bis(4,5-diazafluorene thiosemicarbazato)nickel trihydrate
• Formula: C24 H22 N10 Ni O3 S2
• Calculated formula: C24 H22 N10 Ni O3 S2
• Title of publication: Structural dependence of π‒π interactions in dithiocarbazato and thiosemicarbazato nickel complexes
• Authors of publication: Liu Ze-hua; Duan Chun-ying; Li Ji-hui; Liu Yong-jiang; Mei Yu-hua; You Xiao-zeng
• Journal of publication: New J. Chem.
• Year of publication: 2000
• Journal volume: 24
• Journal issue: 12
• Pages of publication: 1057 - 1062
• a: 10.696 ± 0.004 Å
• b: 10.696 ± 0.004 Å
• c: 19.748 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1956.6 ± 1.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 153
• Hermann-Mauguin space group symbol: P 32 1 2
• Hall space group symbol: P 32 2 (0 0 2)
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No