Information card for entry 7715417

Structure parameters

• Chemical name: Ni2(L3)2
• Formula: C88 H108 Cl4 N4 Ni2 O4
• Calculated formula: C88 H108 Cl4 N4 Ni2 O4
• Title of publication: Nickel, copper, and zinc dinuclear helicates: how do bulky groups influence their architecture?
• Authors of publication: Fernández-Fariña, Sandra; Maneiro, Marcelino; Zaragoza, Guillermo; Seco, José M; Pedrido, Rosa; González-Noya, Ana M
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 5676 - 5685
• a: 19.6676 ± 0.0009 Å
• b: 17.5879 ± 0.0008 Å
• c: 23.6719 ± 0.0017 Å
• α: 90°
• β: 101.008 ± 0.002°
• γ: 90°
• Cell volume: 8037.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No