Information card for entry 4125446

Structure parameters

• Formula: C48 H32 Cl2 Fe6 O30
• Calculated formula: C48 H32.0016 Cl1.9998 Fe6 O30.0002
• Title of publication: Modular and Stepwise Synthesis of a Hybrid Metal-Organic Framework for Efficient Electrocatalytic Oxygen Evolution.
• Authors of publication: Shen, Jian-Qiang; Liao, Pei-Qin; Zhou, Dong-Dong; He, Chun-Ting; Wu, Jun-Xi; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 5
• Pages of publication: 1778 - 1781
• a: 41.0408 ± 0.0002 Å
• b: 41.0408 ± 0.0002 Å
• c: 41.0408 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 69127 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.2057
• Weighted residual factors for all reflections included in the refinement: 0.2198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No