Information card for entry 7032136

Structure parameters

• Formula: C8 H12 F6 N4 O6 S2 Zn
• Calculated formula: C8 H12 F6 N4 O6 S2 Zn
• Title of publication: Novel (cyanamide)Zn(II) complexes and zinc(ii)-mediated hydration of the cyanamide ligands.
• Authors of publication: Smirnov, Andrey S.; Butukhanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Kuznetsov, Maxim L.; Kukushkin, Vadim Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 42
• Pages of publication: 15798 - 15811
• a: 9.3213 ± 0.0006 Å
• b: 9.5366 ± 0.0007 Å
• c: 11.0391 ± 0.001 Å
• α: 98.656 ± 0.007°
• β: 113.153 ± 0.007°
• γ: 92.342 ± 0.006°
• Cell volume: 886.57 ± 0.13 ų
• Cell temperature: 99.99 ± 0.16 K
• Ambient diffraction temperature: 99.99 ± 0.16 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No