Information card for entry 7023800

Structure parameters

• Formula: C6 H20 Cl2 Mn3 N20 O4
• Calculated formula: C6 H20 Cl2 Mn3 N20 O4
• Title of publication: Structural motif-dependent magnetic diversity observed in three-dimensional tetrazolyl-based MMOFs: synthesis, structures and magnetism.
• Authors of publication: Liu, Zhong-Yi; Zou, Hong-Ai; Hou, Zhao-Jun; Yang, En-Cui; Zhao, Xiao-Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 44
• Pages of publication: 15716 - 15725
• a: 9.3348 ± 0.001 Å
• b: 13.0009 ± 0.0015 Å
• c: 9.3606 ± 0.001 Å
• α: 90°
• β: 91.282 ± 0.002°
• γ: 90°
• Cell volume: 1135.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No