Information card for entry 7232375

Structure parameters

• Formula: C30.76 H51 Br2.24 F2.3 La N3 O20.3 S0.76
• Calculated formula: C30.766 H31 Br2.234 F2.298 La N3 O10.298 S0.766
• 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: 9.6013 ± 0.0003 Å
• b: 14.3577 ± 0.0003 Å
• c: 18.7825 ± 0.0005 Å
• α: 106.592 ± 0.002°
• β: 102.854 ± 0.002°
• γ: 99.256 ± 0.002°
• Cell volume: 2348.43 ± 0.12 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: 0.06
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No