Information card for entry 7715416

Structure parameters

• Chemical name: H2L5
• Formula: C43 H54 N2 O2
• Calculated formula: C43 H54 N2 O2
• SMILES: Oc1c(/C=N/c2c(cc(Cc3cc(c(/N=C/c4c(O)c(C(C)(C)C)ccc4)c(c3)CC)CC)cc2CC)CC)cccc1C(C)(C)C
• 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: 9.9049 ± 0.0012 Å
• b: 13.189 ± 0.0019 Å
• c: 15.798 ± 0.002 Å
• α: 67.796 ± 0.005°
• β: 82.499 ± 0.005°
• γ: 76.969 ± 0.005°
• Cell volume: 1859.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1102
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No