Information card for entry 1561125

Structure parameters

• Formula: C27 H42 Mn3 N18 O9
• Calculated formula: C27 H39 Mn3 N18 O7
• Title of publication: Self-assembly of novel manganese (II) compounds based on bifunctional-group ligands: Synthesis, structures, and magnetic properties
• Authors of publication: Yan, Juan-zhi; Lu, Li-ping; Zhu, Miao-li; Feng, Si-si
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 262
• Pages of publication: 351 - 359
• a: 26.6 ± 0.003 Å
• b: 26.6 ± 0.003 Å
• c: 26.6 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18821 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 230
• Hermann-Mauguin space group symbol: I a -3 d
• Hall space group symbol: -I 4bd 2c 3
• Residual factor for all reflections: 0.1109
• Residual factor for significantly intense reflections: 0.1022
• Weighted residual factors for significantly intense reflections: 0.3079
• Weighted residual factors for all reflections included in the refinement: 0.3246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.52
• Diffraction radiation wavelength: 0.72 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No