Information card for entry 7005781

Structure parameters

• Formula: C20 H18 N6 Ni S2
• Calculated formula: C20 H18 N6 Ni S2
• Title of publication: Designing Zn(II) and Cu(II) derivatives as probes for in vitro fluorescence imaging.
• Authors of publication: Pascu, Sofia I.; Waghorn, Philip A.; Conry, Timothy D.; Betts, Helen M.; Dilworth, Jonathan R.; Churchill, Grant C.; Pokrovska, Tzveta; Christlieb, Martin; Aigbirhio, Franklin I.; Warren, John E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 43
• Pages of publication: 4988 - 4997
• a: 8.4135 ± 0.0002 Å
• b: 18.9038 ± 0.0005 Å
• c: 12.3095 ± 0.0003 Å
• α: 90°
• β: 95.7293 ± 0.0012°
• γ: 90°
• Cell volume: 1948.01 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0579
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for all reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections included in the refinement: 0.0364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1304
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No