Information card for entry 2219377

Structure parameters

• Common name: Aquadipicrato(tetraethylene glycol)gadolinium(III) picrate methanol hemisolvate
• Chemical name: aquabis(2,4,6-trinitrophenolato)(3,6,9-trioxaundecane-1,11- diol)gadolinium(III) 2,4,6-trinitrophenolate methanol hemisolvate
• Formula: C26.5 H28 Gd N9 O27.5
• Calculated formula: C26.5 H28 Gd N9 O27.5
• Title of publication: Aquadipicrato(tetraethylene glycol)gadolinium(III) picrate methanol hemisolvate
• Authors of publication: Kusrini, Eny; Saleh, Muhammad Idiris; Kia, Reza; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m1179 - m1180
• a: 8.1816 ± 0.0006 Å
• b: 18.6657 ± 0.0014 Å
• c: 24.9646 ± 0.0018 Å
• α: 104.188 ± 0.003°
• β: 96.445 ± 0.004°
• γ: 95.483 ± 0.004°
• Cell volume: 3642.7 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 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: 0.0471
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes