Information card for entry 2206901

Structure parameters

• Chemical name: dichlorobis(cyanoguanidine)zinc(II)
• Formula: C4 H8 Cl2 N8 Zn
• Calculated formula: C4 H8 Cl2 N8 Zn
• SMILES: [Zn](Cl)(Cl)([N]#CN=C(N)N)[N]#CN=C(N)N
• Title of publication: A monoclinic polymorph of dichlorobis(cyanoguanidine)zinc(II)
• Authors of publication: Fowkes, Adrian; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m2021 - m2022
• a: 4.9315 ± 0.0003 Å
• b: 14.6161 ± 0.001 Å
• c: 15.5026 ± 0.0011 Å
• α: 90°
• β: 93.928 ± 0.002°
• γ: 90°
• Cell volume: 1114.79 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0666
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes