Information card for entry 4303840

Structure parameters

• Formula: C51 H59 I2 La N8 O3
• Calculated formula: C51 H57 I2 La N8 O3
• SMILES: [La]1234567([N]8(CC[N]1(CC[N]2(CC[N]3(CC8)Cc1[n]7c2ccccc2cc1)Cc1[n]6c2ccccc2cc1)Cc1[n]5c2ccccc2cc1)Cc1[n]4c2ccccc2cc1)OC.[I-].[I-].OC.OC
• Title of publication: Asymmetric Twisting and Chirality Probing Properties of Quadruple-Stranded Helicates: Coordination Versatility and Chirality Response of Na+, Ca2+, and La3+ Complexes with Octadentate Cyclen Ligand
• Authors of publication: Hitomi Misaki; Hiroyuki Miyake; Satoshi Shinoda; Hiroshi Tsukube
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11921 - 11928
• a: 19.4769 ± 0.0011 Å
• b: 21.8906 ± 0.0013 Å
• c: 22.7715 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9708.9 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.403
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No