Information card for entry 7232382

Structure parameters

• Formula: C65.9 H86 Br0.1 F17.7 N6 O47.45 S5.9 Sm2
• Calculated formula: C65.9 H62 Br0.1 F17.7 N6 O35.45 S5.9 Sm2
• 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: 10.1269 ± 0.0003 Å
• b: 14.2176 ± 0.0004 Å
• c: 34.2981 ± 0.0006 Å
• α: 89.1178 ± 0.0019°
• β: 87.111 ± 0.002°
• γ: 87.308 ± 0.003°
• Cell volume: 4926.1 ± 0.2 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 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: 0.0845
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.176
• Weighted residual factors for all reflections included in the refinement: 0.1891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No