Information card for entry 7127682

Structure parameters

• Formula: C20 H21 Cl2 N5 Ni
• Calculated formula: C20 H21 Cl2 N5 Ni
• Title of publication: Hydrogen-bonded nickel(I) complexes.
• Authors of publication: Wilson, Jessica R.; Zeller, Matthias; Szymczak, Nathaniel K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 6
• Pages of publication: 753 - 756
• a: 8.7389 ± 0.0005 Å
• b: 15.7231 ± 0.0008 Å
• c: 30.6187 ± 0.0014 Å
• α: 90°
• β: 90.9491 ± 0.0016°
• γ: 90°
• Cell volume: 4206.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No