Information card for entry 7232369

Structure parameters

• Formula: C31 H51 Br2 F3 Gd N3 O21 S
• Calculated formula: C31 H31 Br2 F3 Gd N3 O11 S
• 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: 9.528 ± 0.0004 Å
• b: 14.3123 ± 0.0006 Å
• c: 18.861 ± 0.0008 Å
• α: 107.797 ± 0.004°
• β: 103.227 ± 0.004°
• γ: 99.461 ± 0.003°
• Cell volume: 2306.55 ± 0.19 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: 0.0724
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.193
• Weighted residual factors for all reflections included in the refinement: 0.1984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No