Information card for entry 4317770

Structure parameters

• Formula: C8 H8 N6 Ni S2
• Calculated formula: C8 H8 N6 Ni S2
• Title of publication: Structural, Spectral, and Magnetic Properties of End-to-End Di-μ-thiocyanato-Bridged Polymeric Complexes of Ni(II) and Co(II). X-ray Crystal Structure of Di-μ-thiocyanatobis(imidazole)nickel(II)
• Authors of publication: Bogumiła Żurowska; Jerzy Mroziński; Miguel Julve; Francisco Lloret; Anna Maslejova; Wanda Sawka-Dobrowolska
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1771 - 1777
• a: 7.72 ± 0.001 Å
• b: 5.557 ± 0.001 Å
• c: 13.774 ± 0.003 Å
• α: 90°
• β: 102.54 ± 0.03°
• γ: 90°
• Cell volume: 576.81 ± 0.19 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No