Information card for entry 2218001

Structure parameters

• Chemical name: Hexakis(1<i>H</i>-imidazole-κN^3^)nickel(II) bis(3-thienylacetate)
• Formula: C30 H34 N12 Ni O4 S2
• Calculated formula: C30 H34 N12 Ni O4 S2
• Title of publication: Hexakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II) bis(3-thienylacetate)
• Authors of publication: Song, Wen-Dong; Ji, Li-Li; Wang, Hao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m550
• a: 9.2483 ± 0.0003 Å
• b: 9.8529 ± 0.0003 Å
• c: 19.6365 ± 0.0006 Å
• α: 84.696 ± 0.001°
• β: 88.38 ± 0.002°
• γ: 80.157 ± 0.002°
• Cell volume: 1755.3 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes