Information card for entry 7121450

Structure parameters

• Common name: [Ni(II)(hexynyl-cyclam)]2+
• Chemical name: Ni(hexynyl-cyclam)
• Formula: C16 H34 Cl2 N4 Ni O
• Calculated formula: C16 H34 Cl2 N4 Ni O
• 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: 8.5522 ± 0.0003 Å
• b: 9.373 ± 0.0003 Å
• c: 13.4983 ± 0.0004 Å
• α: 109.22 ± 0.002°
• β: 99.489 ± 0.002°
• γ: 91.607 ± 0.002°
• Cell volume: 1003.79 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.0621
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No