Information card for entry 7243870

Structure parameters

• Formula: C36 H52 Cl3 N4 Ni O19 Zr3
• Calculated formula: C33 H29 Cl3 N3 Ni O13 Zr3
• Title of publication: Two Zr-based heterometal–organic frameworks for efficient CO2 reduction under visible light
• Authors of publication: Wang, Ying; Fu, Yaomei; You, Siqi; Li, Xuexin; Zhao, Liang; Qin, Chao; Wang, Xinlong
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 46
• Pages of publication: 8115 - 8120
• a: 10.51 ± 0.004 Å
• b: 16.988 ± 0.007 Å
• c: 29.61 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5287 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.02 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1168
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No