Information card for entry 7032140

Structure parameters

• Formula: C12 H24 Cl2 N4 O2 Zn
• Calculated formula: C12 H24 Cl2 N4 O2 Zn
• SMILES: [Zn](Cl)(Cl)([O]=C(N1CCCCC1)N)[O]=C(N1CCCCC1)N
• 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: 9.6999 ± 0.0011 Å
• b: 9.9427 ± 0.0011 Å
• c: 10.1598 ± 0.0007 Å
• α: 88.738 ± 0.007°
• β: 88.449 ± 0.007°
• γ: 61.132 ± 0.011°
• Cell volume: 857.72 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No