Information card for entry 7049217

Structure parameters

• Formula: C42 H34 N6 O8 Zn2
• Calculated formula: C42 H34 N6 O8 Zn2
• 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: 15.73 ± 0.003 Å
• b: 15.1 ± 0.003 Å
• c: 10.023 ± 0.002 Å
• α: 90°
• β: 119.21 ± 0.03°
• γ: 90°
• Cell volume: 2078 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No