Information card for entry 7243869

Structure parameters

• Formula: C72 H76 Cl4 Mn N8 O22 Zr6
• Calculated formula: C72 H76 Cl4 Mn N8 O22 Zr6
• 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: 11.1927 ± 0.001 Å
• b: 12.9714 ± 0.0011 Å
• c: 21.8377 ± 0.0019 Å
• α: 80.98 ± 0.005°
• β: 77.033 ± 0.005°
• γ: 76.035 ± 0.005°
• Cell volume: 2980.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.02 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.133
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• 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