Information card for entry 7016480

Structure parameters

• Formula: C30 H18 Mn3 N12 O12
• Calculated formula: C30 H18 Mn3 N12 O12
• Title of publication: A Kagomé layer-based 3D Mn(II) framework showing coexistence of spin-canting, spin-frustration, field-induced metamagnetic and spin-flop transitions.
• Authors of publication: Yang, En-Cui; Liu, Zhong-Yi; Li, Ya-Ling; Wang, Jing-Yi; Zhao, Xiao-Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 34
• Pages of publication: 8513 - 8516
• a: 9.5348 ± 0.0005 Å
• b: 13.7828 ± 0.0006 Å
• c: 12.7311 ± 0.0006 Å
• α: 90°
• β: 101.378 ± 0.001°
• γ: 90°
• Cell volume: 1640.19 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0285
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No