Information card for entry 7203029

Structure parameters

• Common name: SH7DMF
• Chemical name: bis[tris(3-methylbenzoato)(dimethylformamide)yttrium(III)]
• Formula: C54 H60 N2 O16 Y2
• Calculated formula: C54 H60 N2 O16 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: 27.125 ± 0.005 Å
• b: 8.6116 ± 0.0017 Å
• c: 23.062 ± 0.005 Å
• α: 90°
• β: 105.1 ± 0.03°
• γ: 90°
• Cell volume: 5201 ± 1.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No