Information card for entry 7121449

Structure parameters

• Common name: [Ni(II)(propargyl-cyclam)](2Cl)
• Chemical name: Ni(propargyl-cyclam)
• Formula: C13 H26 Cl2 N4 Ni
• Calculated formula: C13 H26 Cl2 N4 Ni
• Title of publication: Covalent attachment of [Ni(alkynyl-cyclam)]²⁺ catalysts to glassy carbon electrodes.
• Authors of publication: Zhanaidarova, Almagul; Moore, Curtis E.; Gembicky, Milan; Kubiak, Clifford P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 33
• Pages of publication: 4116 - 4119
• a: 6.5736 ± 0.0004 Å
• b: 14.4609 ± 0.0007 Å
• c: 17.5037 ± 0.0009 Å
• α: 90°
• β: 91.312 ± 0.004°
• γ: 90°
• Cell volume: 1663.47 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0573
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No