Information card for entry 7032134

Structure parameters

• Formula: C52 H44 Br6 N8 O2 Zn3
• Calculated formula: C52 H44 Br6 N8 O2 Zn3
• SMILES: Br[Zn]1([Br][Zn](Br)([Br]1)Br)Br.[Zn]([N]#CN(c1ccccc1)c1ccccc1)([N]#CN(c1ccccc1)c1ccccc1)([N]#CN(c1ccccc1)c1ccccc1)([N]#CN(c1ccccc1)c1ccccc1)([OH2])[OH2]
• 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: 9.9094 ± 0.0004 Å
• b: 25.7218 ± 0.0012 Å
• c: 14.0861 ± 0.0007 Å
• α: 90°
• β: 128.053 ± 0.003°
• γ: 90°
• Cell volume: 2827.2 ± 0.3 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: 0.0724
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No