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Information card for entry 7700147
Preview
Coordinates | 7700147.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H16 K2 Mg N12 O16 |
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Calculated formula | C12 H16 K2 Mg N12 O16 |
Title of publication | A rich structural chemistry in π-conjugated hydroisocyanurates: layered structures of A<sub>2</sub>B(H<sub>2</sub>C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)<sub>4</sub>·nH<sub>2</sub>O (A = K, Rb, Cs; B = Mg, Ca; n = 4, 10) with high ultraviolet transparency and strong optical anisotropy. |
Authors of publication | Meng, Xianghe; Liang, Fei; Kang, Kaijin; Tang, Jian; Huang, Qian; Yin, Wenlong; Lin, Zheshuai; Xia, Mingjun |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2019 |
Journal volume | 48 |
Journal issue | 25 |
Pages of publication | 9048 - 9052 |
a | 11.7623 ± 0.0007 Å |
b | 15.9722 ± 0.0009 Å |
c | 6.9802 ± 0.0004 Å |
α | 90° |
β | 116.876 ± 0.006° |
γ | 90° |
Cell volume | 1169.72 ± 0.13 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 12 |
Hermann-Mauguin space group symbol | C 1 2/m 1 |
Hall space group symbol | -C 2y |
Residual factor for all reflections | 0.0441 |
Residual factor for significantly intense reflections | 0.0414 |
Weighted residual factors for significantly intense reflections | 0.1073 |
Weighted residual factors for all reflections included in the refinement | 0.1106 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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