Information card for entry 7119943

Structure parameters

• Formula: C71 H153 Mn Mo6 N4 O33
• Calculated formula: C71 H153 Mn Mo6 N4 O33
• Title of publication: Synthesis of novel bis(Triol)-functionalized Anderson clusters serving as potential synthons for forming organic-inorganic hybrid chains on purpose
• Authors of publication: Hao, Jian; Wei, Yongge; Xu, Qinghong; Yuan, Shanshan; Zhu, Li
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 27.6934 ± 0.0006 Å
• b: 13.7969 ± 0.0003 Å
• c: 24.7992 ± 0.0005 Å
• α: 90°
• β: 92.869 ± 0.002°
• γ: 90°
• Cell volume: 9463.5 ± 0.3 ų
• Cell temperature: 103.7 K
• Ambient diffraction temperature: 103.7 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0988
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.1772
• Weighted residual factors for all reflections included in the refinement: 0.19
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No