Information card for entry 2229928

Structure parameters

• Chemical name: Bis(pyridazine-κ<i>N</i>)bis(selenocyanato-κ<i>N</i>)zinc
• Formula: C10 H8 N6 Se2 Zn
• Calculated formula: C10 H8 N6 Se2 Zn
• SMILES: C(=N[Zn]([n]1ccccn1)(N=C=[Se])[n]1ccccn1)=[Se]
• Title of publication: Bis(pyridazine-κ<i>N</i>)bis(selenocyanato-κ<i>N</i>)zinc
• Authors of publication: Reinert, Thorben; Boeckmann, Jan; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m567
• a: 15.1521 ± 0.001 Å
• b: 5.6783 ± 0.0004 Å
• c: 17.4855 ± 0.0013 Å
• α: 90°
• β: 94.981 ± 0.006°
• γ: 90°
• Cell volume: 1498.74 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes