Information card for entry 4519275

Structure parameters

• Formula: C48 H24 Mn2 N4 O11.67 V
• Calculated formula: C48 H24 Mn2 N4 O11.6667 V
• Title of publication: Vanadium(V^IV)-Porphyrin-Based Metal-Organic Frameworks for Synergistic Bimetallic Activation of Inert C(sp³)-H Bonds.
• Authors of publication: Wang, Yefei; Zhao, Liang; Ji, Guanfeng; He, Cheng; Liu, Songtao; Duan, Chunying
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2022
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 2794 - 2804
• a: 32.603 ± 0.012 Å
• b: 32.603 ± 0.012 Å
• c: 16.679 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15354 ± 11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 191
• Hermann-Mauguin space group symbol: P 6/m m m
• Hall space group symbol: -P 6 2
• Residual factor for all reflections: 0.1975
• Residual factor for significantly intense reflections: 0.1362
• Weighted residual factors for significantly intense reflections: 0.2987
• Weighted residual factors for all reflections included in the refinement: 0.3123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.338
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No