Information card for entry 1555942

Structure parameters

• Common name: ZnI tris(4-pyridyl)-1,3,5-triazene)2 MOF
• Formula: C60.84 H63.33 I6 N14.07 Zn3
• Calculated formula: C60.84 H63.33 I6 N14.07 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: 36.538 ± 0.006 Å
• b: 14.716 ± 0.001 Å
• c: 30.585 ± 0.006 Å
• α: 90°
• β: 102.234 ± 0.015°
• γ: 90°
• Cell volume: 16072 ± 4 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• 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: 0.1281
• Residual factor for significantly intense reflections: 0.0916
• Weighted residual factors for significantly intense reflections: 0.2259
• Weighted residual factors for all reflections included in the refinement: 0.2463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.70845 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No