Information card for entry 2215028

Structure parameters

• Chemical name: Poly[bis[μ-1,4-bis(1,2,4-triazol-1-ylmethyl)benzene]dicyanatonickel(II)]
• Formula: C26 H24 N14 Ni O2
• Calculated formula: C26 H24 N14 Ni O2
• Title of publication: Poly[bis[μ-1,4-bis(1,2,4-triazol-1-ylmethyl)benzene]dicyanatonickel(II)]
• Authors of publication: Wen-Bao Wang; Li-Yan Wang; Bao-Long Li; Yong Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2416 - m2417
• a: 8.3857 ± 0.0007 Å
• b: 20.1913 ± 0.0014 Å
• c: 8.4229 ± 0.0007 Å
• α: 90°
• β: 103.836 ± 0.002°
• γ: 90°
• Cell volume: 1384.77 ± 0.19 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0414
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes