Information card for entry 7017205

Structure parameters

• Formula: C67 H59 Ga La N7 O11
• Calculated formula: C67 H59 Ga La N7 O11
• SMILES: [La]12345678([O]9c%10c(O[Ga]9%11%12(Oc9c([O]3%11)c(ccc9)C=[N]5N(C(=[O]4)c3ccccc3)c3ccccc3)Oc3c([O]6%12)c(ccc3)C=[N]8N(C(=[O]7)c3ccccc3)c3ccccc3)cccc%10C=[N]2N(C(=[O]1)c1ccccc1)c1ccccc1)[O]=CN(C)C.O(CC)CC
• Title of publication: Decorating the lanthanide terminus of self-assembled heterodinuclear lanthanum(iii)/gallium(iii) helicates.
• Authors of publication: Albrecht, Markus; Latorre, Irene; Mehmeti, Gent; Hengst, Konstantin; Oppel, Iris M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12067 - 12074
• a: 15.864 ± 0.003 Å
• b: 23.356 ± 0.003 Å
• c: 17.036 ± 0.002 Å
• α: 90°
• β: 104.622 ± 0.014°
• γ: 90°
• Cell volume: 6107.7 ± 1.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1356
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 0.606
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No