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Information card for entry 1561977
Preview
Coordinates | 1561977.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H18 Mn N16 O10 |
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Calculated formula | C12 H18 Mn N16 O10 |
SMILES | [Mn]1([O]=C(O[Mn]([O]=C(O1)Cn1nnnc1)([n]1nnn(CC(=O)O)c1)[n]1nnn(CC(=O)O)c1)Cn1nnnc1)([n]1nnn(CC(=O)O)c1)([n]1nnn(CC(=O)O)c1)(OC(Cn1nnnc1)=O)OC(Cn1nnnc1)=O.O.O.O.O |
Title of publication | Synthesis, structures, and properties of three Zn(II), Mn(II), and Cd(II) compounds based on tetrazole-1-acetic ligand |
Authors of publication | Liu, Dong-Sheng; Chen, Wen-Tong; Xu, Ya-Ping; Shen, Ping; Hu, Shao-Jun; Sui, Yan |
Journal of publication | Journal of Solid State Chemistry |
Year of publication | 2015 |
Journal volume | 226 |
Pages of publication | 186 - 191 |
a | 15.8873 ± 0.001 Å |
b | 4.9282 ± 0.0003 Å |
c | 30.1864 ± 0.0019 Å |
α | 90° |
β | 100.735 ± 0.001° |
γ | 90° |
Cell volume | 2322.1 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0338 |
Residual factor for significantly intense reflections | 0.0301 |
Weighted residual factors for significantly intense reflections | 0.0723 |
Weighted residual factors for all reflections included in the refinement | 0.0756 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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