Information card for entry 1555943

Structure parameters

• Common name: ZnI tris(4-pyridyl)-1,3,5-triazene) MOF
• Formula: C48.64 H34.53 I6 N14.11 O4.21 Zn3
• Calculated formula: C48.642 H34.535 I6 N14.107 O4.214 Zn3
• Title of publication: Improvements to the Practical Usability of the "Crystalline Sponge" Method for Organic Structure Determination.
• Authors of publication: Waldhart, Greyson W.; Mankad, Neal P.; Santarsiero, Bernard D.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 23
• Pages of publication: 6112 - 6115
• a: 34.026 ± 0.002 Å
• b: 15.046 ± 0.001 Å
• c: 30.424 ± 0.001 Å
• α: 90°
• β: 100.625 ± 0.003°
• γ: 90°
• Cell volume: 15308.7 ± 1.5 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1017
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.2003
• Weighted residual factors for all reflections included in the refinement: 0.2212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.68878 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No