Information card for entry 7016895

Structure parameters

• Formula: C9.5 H11 Mn2 N6 O9
• Calculated formula: C9.5 H8 Mn2 N6 O9
• Title of publication: Co(II), Mn(II) and Cu(II)-directed coordination polymers with mixed tetrazolate-dicarboxylate heterobridges exhibiting spin-canted, spin-frustrated antiferromagnetism and a slight spin-flop transition.
• Authors of publication: Yang, En-Cui; Liu, Zhong-Yi; Wu, Xiao-Yun; Chang, Hong; Wang, En-Chan; Zhao, Xiao-Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 39
• Pages of publication: 10082 - 10089
• a: 6.6921 ± 0.0011 Å
• b: 10.1758 ± 0.0016 Å
• c: 12.444 ± 0.002 Å
• α: 74.805 ± 0.002°
• β: 74.955 ± 0.002°
• γ: 88.679 ± 0.002°
• Cell volume: 788.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0302
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No