Information card for entry 7044736

Structure parameters

• Formula: C48 H50 Mn3 N0 O22 S6
• Calculated formula: C48 H50 Mn3 O22 S6
• Title of publication: Surprisingly high quantum yield of emission in a fluorescent coordination polymer with paramagnetic Mn(II) ions
• Authors of publication: Zhang, Wen-Wei; Zhai, Lu; Ren, Xiaoming; Zuo, Jing-Lin; Yang, Zhu Xi
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• a: 9.728 ± 0.003 Å
• b: 12.452 ± 0.003 Å
• c: 12.917 ± 0.003 Å
• α: 90.806 ± 0.004°
• β: 107.26 ± 0.003°
• γ: 110.609 ± 0.003°
• Cell volume: 1386.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.08
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1621
• Weighted residual factors for all reflections included in the refinement: 0.1773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No