Information card for entry 7033647

Structure parameters

• Common name: Di-imidazolo-cerium-tri-imidazolate
• Chemical name: {(mue-1,2)-tri-imidazolato-imidazolo- cerium(III)}-imidazole
• Formula: C15 H17 Ce N10
• Calculated formula: C15 H17 Ce N10
• Title of publication: A blue luminescent MOF as a rapid turn-off/turn-on detector for H2O, O2 and CH2Cl2, MeCN: [Ce(Im)3ImH]·ImH.
• Authors of publication: Meyer, L. V.; Schönfeld, F; Zurawski, A.; Mai, M.; Feldmann, C.; Müller-Buschbaum, K
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 9
• Pages of publication: 4070 - 4079
• a: 23.253 ± 0.005 Å
• b: 14.024 ± 0.003 Å
• c: 23.455 ± 0.005 Å
• α: 90°
• β: 107.68 ± 0.03°
• γ: 90°
• Cell volume: 7287 ± 3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No