Information card for entry 7232370

Structure parameters

• Formula: C31.61 H47 Br1.39 F4.84 N3 O20.84 S1.61 Sm
• Calculated formula: C31.611 H31 Br1.389 F4.833 N3 O12.833 S1.611 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: 18.7334 ± 0.0004 Å
• b: 25.659 ± 0.0005 Å
• c: 9.82867 ± 0.00019 Å
• α: 90°
• β: 102.696 ± 0.002°
• γ: 90°
• Cell volume: 4608.93 ± 0.16 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: 0.0589
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No