Information card for entry 4307065

Structure parameters

• Chemical name: diacetyl-2-(4-N-methyl-3-thiosemicarbazonato)- 3-(4-N-amino-3-thiosemicarbazonato) zinc(II)
• Formula: C7 H13 N7 S2 Zn
• Calculated formula: C7 H13 N7 S2 Zn
• Title of publication: Functionalized Bis(thiosemicarbazonato) Complexes of Zinc and Copper: Synthetic Platforms Toward Site-Specific Radiopharmaceuticals
• Authors of publication: Jason P. Holland; Franklin I. Aigbirhio; Helen M. Betts; Paul D. Bonnitcha; Paul Burke; Martin Christlieb; Grant C. Churchill; Andrew R. Cowley; Jonathan R. Dilworth; Paul S. Donnelly; Jennifer C. Green; Josephine M. Peach; Sridhar R. Vasudevan; John E. Warren
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 465 - 485
• a: 9.8643 ± 0.0014 Å
• b: 14.627 ± 0.002 Å
• c: 17.117 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2469.7 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections included in the refinement: 0.0433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1044
• Diffraction radiation wavelength: 0.8457 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No