Information card for entry 2016412

Structure parameters

• Chemical name: Bis[3-(2-hydroxyethyl)-4,10-diazapyrazolo[3,4-<i>b</i>]fluoren-9(3H)-one thiosemicarbazonato]zinc(II) dimethylformamide trisolvate monohydrate
• Formula: C39 H47 N17 O6 S2 Zn
• Calculated formula: C39 H47 N17 O6 S2 Zn
• Title of publication: Bis[1-(2-hydroxyethyl)-4,10-diazapyrazolo[4,3-<i>b</i>]fluoren-5(1<i>H</i>)-one thiosemicarbazonato]zinc(II) dimethylformamide trisolvate monohydrate
• Authors of publication: Xi-Quan Che
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m5 - m7
• a: 16.53 ± 0.005 Å
• b: 12.104 ± 0.005 Å
• c: 23.601 ± 0.005 Å
• α: 90 ± 0.005°
• β: 95.191 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4703 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1367
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes