Information card for entry 7230914

Structure parameters

• Formula: C3.2 H2.06 Mn0.23 N0.23 O1.14
• Calculated formula: C3.2 H2.05714 Mn0.228571 N0.228571 O1.14286
• Title of publication: Structural diversity and magnetic properties of Co(II)/Mn(II)/Ni(II) coordination polymers constructed from an unsymmetrical tetracarboxylic acid and varying N-donor ligands
• Authors of publication: Yue, Qi; Liu, Xu; Guo, Wei-Xiao; Gao, En-Qing
• Journal of publication: CrystEngComm
• Year of publication: 2018
• a: 30.168 ± 0.003 Å
• b: 30.168 ± 0.003 Å
• c: 6.0186 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5477.6 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No