Information card for entry 7220040

Structure parameters

• Formula: C166 H89 Cl Mn16 N0 O69 P8 S12
• Calculated formula: C166 H164 Cl Mn16 O69 P8 S12
• Title of publication: Self-assembly of two high-nuclearity manganese calixarene-phosphonate clusters: diamond-Like Mn16 and drum-Like Mn14
• Authors of publication: Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Pan, Jie; Pang, Jiandong; Wan, Xiuyan; Hu, Falu; Hong, Maochun
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 34.378 ± 0.004 Å
• b: 28.14 ± 0.004 Å
• c: 22.849 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22104 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1987
• Weighted residual factors for all reflections included in the refinement: 0.2137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No