Information card for entry 7022168

Structure parameters

• Formula: C33 H30 Cl3 Mn3 N6 O8
• Calculated formula: C33 H30 Cl3 Mn3 N6 O8
• Title of publication: Ligand field effect tuned magnetic behaviors of two chain compounds based on Mn(III)3O units: from slow magnetic relaxation to metamagnetism.
• Authors of publication: Bai, Yue-Ling; Bao, Xiaoli; Zhu, Shourong; Fang, Jianhui; Tao, Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 4
• Pages of publication: 1033 - 1038
• a: 15.381 ± 0.002 Å
• b: 16.819 ± 0.003 Å
• c: 14.024 ± 0.002 Å
• α: 90°
• β: 100.337 ± 0.003°
• γ: 90°
• Cell volume: 3569 ± 0.9 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No