Information card for entry 7121451

Structure parameters

• Common name: [Ni(II)(pentynyl-cyclam)]2+
• Chemical name: Ni(pentynyl-cyclam)
• Formula: C16 H34 Cl4 N4 Ni O
• Calculated formula: C16 H34 Cl4 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: 8.4321 ± 0.0006 Å
• b: 12.0889 ± 0.0008 Å
• c: 12.5339 ± 0.0009 Å
• α: 106.833 ± 0.002°
• β: 100.1 ± 0.003°
• γ: 107.515 ± 0.002°
• Cell volume: 1116.93 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0399
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No