Information card for entry 4337612

Structure parameters

• Formula: C77 H70 Cl2 F2 Mn4 N8 O23 P2
• Calculated formula: C77 H70 Cl2 F2 Mn4 N8 O23 P2
• Title of publication: Effect of structural isomerism on magnetic dynamics: from single-molecule magnet to single-chain magnet.
• Authors of publication: Wang, Ting-Ting; Ren, Min; Bao, Song-Song; Liu, Bin; Pi, Li; Cai, Zhong-Sheng; Zheng, Ze-Hua; Xu, Zhong-Li; Zheng, Li-Min
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 3117 - 3125
• a: 10.8532 ± 0.0015 Å
• b: 13.2141 ± 0.0018 Å
• c: 14.515 ± 0.002 Å
• α: 69.045 ± 0.002°
• β: 79.784 ± 0.002°
• γ: 88.2 ± 0.002°
• Cell volume: 1912 ± 0.5 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No