Information card for entry 7036061

Structure parameters

• Formula: C18 H17 Mo N O5
• Calculated formula: C18 H17 Mo N O5
• SMILES: [Mo]12(=O)(Oc3c(C=[N]2c2ccccc2)cccc3)([O]=C(C)C=C(O1)C)=O
• Title of publication: Immobilisation of a molecular epoxidation catalyst on UiO-66 and -67: the effect of pore size on catalyst activity and recycling.
• Authors of publication: Kaposi, Marlene; Cokoja, Mirza; Hutterer, Christine H.; Hauser, Simone A.; Kaposi, Tobias; Klappenberger, Florian; Pöthig, Alexander; Barth, Johannes V.; Herrmann, Wolfgang A.; Kühn, Fritz E
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 36
• Pages of publication: 15976 - 15983
• a: 7.0807 ± 0.0001 Å
• b: 9.411 ± 0.0001 Å
• c: 14.0768 ± 0.0002 Å
• α: 93.622 ± 0.001°
• β: 99.297 ± 0.001°
• γ: 111.59 ± 0.001°
• Cell volume: 853.04 ± 0.02 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0176
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections included in the refinement: 0.0426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No