Information card for entry 7232368

Structure parameters

• Formula: C30.83 H53 Br2.17 F2.5 N3 O21.5 S0.83 Sm
• Calculated formula: C30.831 H31 Br2.169 F2.493 N3 O10.493 S0.831 Sm
• 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: 9.5251 ± 0.0003 Å
• b: 14.2183 ± 0.0003 Å
• c: 18.865 ± 0.0007 Å
• α: 107.596 ± 0.003°
• β: 102.916 ± 0.003°
• γ: 99.489 ± 0.002°
• Cell volume: 2298.26 ± 0.14 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 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: 0.0643
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No