Information card for entry 7032132

Structure parameters

• Formula: C26 H20 I2 N4 Zn
• Calculated formula: C26 H20 I2 N4 Zn
• SMILES: I[Zn](I)([N]#CN(c1ccccc1)c1ccccc1)[N]#CN(c1ccccc1)c1ccccc1
• 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: 9.93005 ± 0.0002 Å
• b: 18.0924 ± 0.0004 Å
• c: 14.7012 ± 0.0003 Å
• α: 90°
• β: 93.9238 ± 0.0018°
• γ: 90°
• Cell volume: 2635 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0366
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No