Information card for entry 7051352

Structure parameters

• Chemical name: bis(fluorene-9-one thiosemicarbazato)nickel monohydrate
• Formula: C28 H22 N6 Ni O S2
• Calculated formula: C28 H22 N6 Ni O 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: 12.2943 ± 0.0014 Å
• b: 14.67 ± 0.002 Å
• c: 15.508 ± 0.002 Å
• α: 91.439 ± 0.014°
• β: 99.301 ± 0.012°
• γ: 106.954 ± 0.012°
• Cell volume: 2632.5 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.1225
• Weighted residual factors for significantly intense reflections: 0.1108
• Goodness-of-fit parameter for all reflections: 1.007
• Goodness-of-fit parameter for significantly intense reflections: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No