Information card for entry 7032141

Structure parameters

• Formula: C12 H24 Br2 N4 O2 Zn
• Calculated formula: C12 H24 Br2 N4 O2 Zn
• SMILES: Br[Zn](Br)([O]=C(N1CCCCC1)N)[O]=C(N)N1CCCCC1
• 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: 10.6266 ± 0.0002 Å
• b: 17.3401 ± 0.0005 Å
• c: 9.7944 ± 0.0002 Å
• α: 90°
• β: 93.34 ± 0.002°
• γ: 90°
• Cell volume: 1801.71 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0456
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No