Information card for entry 7715415

Structure parameters

• Chemical name: H2L4
• Formula: C43 H54 N2 O2
• Calculated formula: C43 H54 N2 O2
• SMILES: c1(ccc(c(c1)/C=N/c1c(cc(cc1CC)Cc1cc(c(c(c1)CC)/N=C/c1c(ccc(c1)C(C)(C)C)O)CC)CC)O)C(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: 9.0717 ± 0.0008 Å
• b: 9.9041 ± 0.0007 Å
• c: 22.0498 ± 0.0019 Å
• α: 77.049 ± 0.003°
• β: 78.483 ± 0.004°
• γ: 79.415 ± 0.004°
• Cell volume: 1871.7 ± 0.3 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: 0.0768
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No