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Information card for entry 1563040
Preview
Coordinates | 1563040.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H26 Co N12 O12 |
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Calculated formula | C14 H26 Co N12 O12 |
SMILES | [Co]1(OC(=O)Cn2nc(c3ncc[n](c3)[Co]([OH2])([OH2])OC(=O)Cn3nc(c4ncc[n]1c4)nn3)nn2)([OH2])(OC(=O)Cn1nc(c2nccnc2)nn1)([OH2])[n]1ccnc(c1)c1nn(nn1)CC(=O)[O-].O.O.O.O.O.O.O.O.O.O.O.O |
Title of publication | A set of new transition metal-based coordination complexes dependent upon Hpztza ligand (Hpztza=2-(5-(pyrazin-2-yl)-2H-tetrazol-2-yl) acetic acid) |
Authors of publication | Yang, Jie; Shen, Lei; Yang, Gao-Wen; Li, Qiao-Yun; Shen, Wei; Jin, Jian-Ning; Zhao, Jing-Jing; Dai, Jian |
Journal of publication | Journal of Solid State Chemistry |
Year of publication | 2012 |
Journal volume | 186 |
Pages of publication | 124 - 133 |
a | 10.507 ± 0.002 Å |
b | 18.953 ± 0.007 Å |
c | 13.699 ± 0.003 Å |
α | 90° |
β | 109.98 ± 0.03° |
γ | 90° |
Cell volume | 2563.8 ± 1.3 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 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 | 0.112 |
Residual factor for significantly intense reflections | 0.0851 |
Weighted residual factors for significantly intense reflections | 0.2028 |
Weighted residual factors for all reflections included in the refinement | 0.2216 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1563040.html
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Users of the data should acknowledge the original authors of the
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