Information card for entry 7015433

Structure parameters

• Formula: C170 H142 Mn16 N16 O54
• Calculated formula: C170 H142 Mn16 N16 O54
• Title of publication: New high-nuclearity manganese clusters containing mixed chelating ligands: syntheses, crystal structures and magnetochemical characterization.
• Authors of publication: Wang, Hui-Sheng; Zhang, Zai-Chao; Song, Xiao-Jiao; Zhang, Jing-Wei; Zhou, Hong-Bo; Wang, Jun; Song, You; You, Xiao-Zeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 12
• Pages of publication: 2703 - 2706
• a: 14.696 ± 0.002 Å
• b: 17.331 ± 0.003 Å
• c: 19.609 ± 0.002 Å
• α: 115.833 ± 0.002°
• β: 98.426 ± 0.003°
• γ: 93.478 ± 0.002°
• Cell volume: 4403 ± 1.1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No