Information card for entry 4135367

Structure parameters

• Formula: C32 H22 Mn2 Ni O10 S4
• Calculated formula: C32 H20 Mn2 Ni O10 S4
• Title of publication: A Metal-Organic Framework Based on a Nickel Bis(dithiolene) Connector: Synthesis, Crystal Structure, and Application as an Electrochemical Glucose Sensor.
• Authors of publication: Zhou, Yan; Hu, Qin; Yu, Fei; Ran, Guang-Ying; Wang, Hai-Ying; Shepherd, Nicholas D.; D'Alessandro, Deanna M; Kurmoo, Mohamedally; Zuo, Jing-Lin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 48
• Pages of publication: 20313 - 20317
• a: 19.3198 ± 0.0009 Å
• b: 19.3198 ± 0.0009 Å
• c: 20.7955 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6722.1 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1688
• Weighted residual factors for all reflections included in the refinement: 0.1874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No