Information card for entry 7246994

Structure parameters

• Formula: C8 H6 N4 Ni O2
• Calculated formula: C8 H6 N4 Ni O2
• Title of publication: A scalable stable porous coordination polymer synthesized from low-cost precursors for efficient C2H2/C2H4 separation
• Authors of publication: Huang, Hengcong; Gu, Yifan; Wang, Luyao; Jia, Tao; Kitagawa, Susumu; Li, Fengting
• Journal of publication: Green Chemistry
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 20
• Pages of publication: 8040 - 8046
• a: 13.4433 ± 0.0011 Å
• b: 13.4433 ± 0.0011 Å
• c: 7.1126 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1285.4 ± 0.2 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• Space group number: 127
• Hermann-Mauguin space group symbol: P 4/m b m
• Hall space group symbol: -P 4 2ab
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No