Information card for entry 7022637

Structure parameters

• Formula: C78 H54 Mn3 N8 O14
• Calculated formula: C78 H54 Mn3 N8 O14
• Title of publication: New two-dimensional Mn(II) metal-organic framework featured spin canting.
• Authors of publication: Chen, Xin; Wang, Yao-Yu; Liu, Bin; Yin, Bing; Liu, Ping; Shi, Qi-Zhen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 19
• Pages of publication: 7092 - 7100
• a: 11.313 ± 0.002 Å
• b: 11.826 ± 0.002 Å
• c: 13.416 ± 0.003 Å
• α: 103.917 ± 0.004°
• β: 112.404 ± 0.003°
• γ: 93.82 ± 0.003°
• Cell volume: 1585.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1545
• Residual factor for significantly intense reflections: 0.0947
• Weighted residual factors for significantly intense reflections: 0.2247
• Weighted residual factors for all reflections included in the refinement: 0.3351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.836
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No