Information card for entry 7021887

Structure parameters

• Formula: C18 H109.5 Ce6 K1.5 Mn3 N3 O172.5 S2 V39
• Calculated formula: C18 Ce6 K1.5 Mn3 N3 O172.56 S2 V39.03
• Title of publication: Assembly of trimeric polyoxovanadate aggregates based on [MnV13O38](7-) building blocks and lanthanide cations.
• Authors of publication: Liu, Ding; Lu, Ying; Li, Yang-Guang; Tan, Hua-Qiao; Chen, Wei-Lin; Zhang, Zhi-Ming; Wang, En-Bo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 40
• Pages of publication: 14445 - 14453
• a: 24.707 ± 0.004 Å
• b: 24.707 ± 0.004 Å
• c: 17.215 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9101 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.1831
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No