Information card for entry 7232383

Structure parameters

• Formula: C30 H41 N6 O22 Y
• Calculated formula: C30 H31 N6 O17 Y
• 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: 9.5796 ± 0.0003 Å
• b: 12.0095 ± 0.0007 Å
• c: 18.6284 ± 0.0005 Å
• α: 104.551 ± 0.004°
• β: 98.841 ± 0.003°
• γ: 102.169 ± 0.004°
• Cell volume: 1978.82 ± 0.16 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No