Information card for entry 7134864

Structure parameters

• Chemical name: SUM-16
• Formula: C22.8 H39.2 N4 O14.8 Zr
• Calculated formula: C16 H12 N4 O8 Zr
• Title of publication: Isomerism and transformation of Zr-hydroxamate metal-organic frameworks.
• Authors of publication: Shao, Zhen-Wu; Qiu, Yuqing; Xiong, Chaozhi; Liu, Chong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 69
• Pages of publication: 12960 - 12963
• a: 8.9734 ± 0.0012 Å
• b: 8.9734 ± 0.0012 Å
• c: 41.816 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3367.1 ± 0.9 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No