Information card for entry 4121124

Structure parameters

• Formula: C337 H655.5 Cu4 Mo48 N34.5 O164
• Calculated formula: C337 H649.5 Cu4 Mo48 N34.5 O164
• Title of publication: Bottom-Up Construction of POM-Based Macrostructures: Coordination Assembled Paddle-Wheel Macroclusters and Their Vesicle-like Supramolecular Aggregation in Solution
• Authors of publication: Yi Zhu; Panchao Yin; Fengping Xiao; Dong Li; Emily Bitterlich; Zicheng Xiao; Jin Zhang; Jian Hao; Tianbo Liu; Yuan Wang; Yongge Wei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 17155 - 17160
• a: 27.362 ± 0.003 Å
• b: 29.399 ± 0.004 Å
• c: 32.838 ± 0.004 Å
• α: 100.435 ± 0.001°
• β: 91.753 ± 0.002°
• γ: 102.066 ± 0.002°
• Cell volume: 25340 ± 5 ų
• Cell temperature: 81 ± 2 K
• Ambient diffraction temperature: 81 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1025
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No