Information card for entry 7203038

Structure parameters

• Common name: [Y(4-MeOBA)3(H2O)(DMF)]2
• Chemical name: di[(aqua)(dimethylformamide)tris(4-methoxybenzoato)yttrium(III)]
• Formula: C54 H60 N2 O22 Y2
• Calculated formula: C54 H60 N2 O22 Y2
• Title of publication: Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium
• Authors of publication: Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 1110
• a: 8.3522 ± 0.0013 Å
• b: 24.8189 ± 0.003 Å
• c: 14.2312 ± 0.0021 Å
• α: 90°
• β: 106.889 ± 0.006°
• γ: 90°
• Cell volume: 2822.8 ± 0.7 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• 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: 0.1054
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No