Information card for entry 1575953

Structure parameters

• Formula: C16 H21 B10 N2 O6 Zn
• Calculated formula: C16 H21 B10 N2 O6 Zn
• Title of publication: Moderately Polarized Carborane-MOF with Inverse C2 Selectivity for One-Step Polymer-Grade Ethylene Purification
• Authors of publication: Liu, Changhong; Xiong, Guangzu; Wang, Yuzhe; Yang, Wenlei; Yuan, Yiwen; Wang, Hui; Wang, Lingyao; Zhang, Yuanbin
• Journal of publication: Materials Horizons
• Year of publication: 2025
• a: 13.7374 ± 0.0016 Å
• b: 12.6237 ± 0.0015 Å
• c: 15.635 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2711.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.1566
• Residual factor for significantly intense reflections: 0.1224
• Weighted residual factors for significantly intense reflections: 0.3194
• Weighted residual factors for all reflections included in the refinement: 0.3468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.6888 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No