Information card for entry 7232366

Structure parameters

• Formula: C30.68 H53 Br2.32 F2.06 N3 Nd O21.06 S0.69
• Calculated formula: C30.686 H31 Br2.314 F2.058 N3 Nd O10.058 S0.686
• Title of publication: In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand
• Authors of publication: Tiihonen, Antti; Lahtinen, Manu
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 14
• Pages of publication: 2286
• a: 9.5721 ± 0.0004 Å
• b: 14.4092 ± 0.0006 Å
• c: 18.7321 ± 0.0007 Å
• α: 106.854 ± 0.004°
• β: 103.019 ± 0.004°
• γ: 99.792 ± 0.004°
• Cell volume: 2331.09 ± 0.19 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1752
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No