Information card for entry 1561123

Structure parameters

• Formula: C6 H8 Mn N6 O6
• Calculated formula: C6 H8 Mn N6 O6
• SMILES: C1(=O)c2n[nH]c[n]2[Mn]2([OH2])([n]3c(C(=O)O2)n[nH]c3)(O1)[OH2]
• 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: 9.177 ± 0.0018 Å
• b: 8.775 ± 0.0018 Å
• c: 6.855 ± 0.0014 Å
• α: 90°
• β: 93.13 ± 0.03°
• γ: 90°
• Cell volume: 551.2 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0427
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.72 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No