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Information card for entry 2017863
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Coordinates | 2017863.cif |
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Original IUCr paper | HTML |
Chemical name | Poly[[(μ~3~-benzotriazole-5-carboxylato- κ^4^<i>N</i>^1^:<i>N</i>^3^:<i>O</i>,<i>O</i>')(1,4,8,9-tetraazatriphenylene- κ^2^<i>N</i>^8^,<i>N</i>^9^)zinc(II)] 0.25-hydrate] |
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Formula | C21 H11.5 N7 O2.25 Zn |
Calculated formula | C21 H11 N7 O2.25 Zn |
Title of publication | A two-dimensional Zn^II^ coordination polymer constructed by benzotriazole-5-carboxylate and 1,4,8,9-tetraazatriphenylene |
Authors of publication | Lu, Rui-Yun; Luan, Guo-You; Han, Zheng-Bo |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 10 |
Pages of publication | m283 - m285 |
a | 17.3649 ± 0.0009 Å |
b | 8.6087 ± 0.0004 Å |
c | 23.8669 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3567.8 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0355 |
Residual factor for significantly intense reflections | 0.0272 |
Weighted residual factors for significantly intense reflections | 0.0682 |
Weighted residual factors for all reflections included in the refinement | 0.0706 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.968 |
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/2017863.html
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