Information card for entry 7049218

Structure parameters

• Formula: C28 H26 N4 O5 Zn
• Calculated formula: C28 H26 N4 O5 Zn
• Title of publication: Detection of adsorbates on emissive MOF surfaces with X-ray photoelectron spectroscopy.
• Authors of publication: Yan, Jingjing; Carl, Alexander D.; Maag, Alex R.; MacDonald, John C.; Müller, Peter; Grimm, Ronald L.; Burdette, Shawn C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 14
• Pages of publication: 4520 - 4529
• a: 12.1475 ± 0.0019 Å
• b: 15.602 ± 0.002 Å
• c: 14.578 ± 0.002 Å
• α: 90°
• β: 99.566 ± 0.008°
• γ: 90°
• Cell volume: 2724.5 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0572
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0594
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No