Information card for entry 4128996

Structure parameters

• Formula: C43 H42 N20 Nd O18
• Calculated formula: C43 H42 N20 Nd O18
• Title of publication: Anion-π and H-Bonding Interactions Supporting Encapsulation of [Ln(NO₃)_6/5]^3-/2- (Ln = Nd, Er) with a Triazine-Based Ligand.
• Authors of publication: de Bettencourt-Dias, Ana; Beeler, Rose M.; Zimmerman, Joshua R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 38
• Pages of publication: 15102 - 15110
• a: 12.163 ± 0.0003 Å
• b: 12.2694 ± 0.0003 Å
• c: 17.6357 ± 0.0005 Å
• α: 94.394 ± 0.001°
• β: 92.077 ± 0.001°
• γ: 95.134 ± 0.001°
• Cell volume: 2611.1 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No