Information card for entry 7232372

Structure parameters

• Formula: C31.65 H43 Br1.35 F4.94 N3 Nd O19.29 S1.65
• Calculated formula: C31.647 H31 Br1.353 F4.941 N3 Nd O13.294 S1.647
• 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: 18.7643 ± 0.0002 Å
• b: 25.6962 ± 0.0003 Å
• c: 9.85675 ± 0.00012 Å
• α: 90°
• β: 102.856 ± 0.0012°
• γ: 90°
• Cell volume: 4633.51 ± 0.1 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No