Information card for entry 4131135

Structure parameters

• Formula: C214.51 H260.49 Cl15.22 Hg7.61 N5.98 O47 S36 Zr6
• Calculated formula: C214.52 H260.499 Cl15.216 Hg7.608 N5.9862 O47 S36 Zr6
• Title of publication: Metalation Triggers Single Crystalline Order in a Porous Solid.
• Authors of publication: Hou, Yun-Long; Yee, Ka-Kit; Wong, Yan-Lung; Zha, Meiqin; He, Jun; Zeller, Matthias; Hunter, Allen D.; Yang, Kaiqi; Xu, Zhengtao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 45
• Pages of publication: 14852 - 14855
• a: 33.6473 ± 0.0015 Å
• b: 33.6473 ± 0.0015 Å
• c: 33.6473 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 38093 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 201
• Hermann-Mauguin space group symbol: P n -3 :2
• Hall space group symbol: -P 2ab 2bc 3
• Residual factor for all reflections: 0.2185
• Residual factor for significantly intense reflections: 0.128
• Weighted residual factors for significantly intense reflections: 0.3212
• Weighted residual factors for all reflections included in the refinement: 0.3957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No