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Information card for entry 7700286
Preview
Coordinates | 7700286.cif |
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Original paper (by DOI) | HTML |
Formula | Cd Cl2 Cs2 O6 V2 |
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Calculated formula | Cd Cl2 Cs2 O6 V2 |
Title of publication | Cs<sub>2</sub>CdV<sub>2</sub>O<sub>6</sub>Cl<sub>2</sub> and Cs<sub>3</sub>CdV<sub>4</sub>O<sub>12</sub>Br: two new non-centrosymmetric oxyhalides containing d<sup>0</sup> and d<sup>10</sup> cations and exhibiting second harmonic generation activity. |
Authors of publication | Li, Yanjun; Zhang, Dan; Liu, Lili; Zhang, Weiguo; Zhang, Jiang; Cong, Ye; Li, Xuanke; Halasyamani, P. Shiv |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2019 |
Journal volume | 48 |
Journal issue | 28 |
Pages of publication | 10642 - 10651 |
a | 5.5761 ± 0.001 Å |
b | 18.331 ± 0.003 Å |
c | 5.357 ± 0.001 Å |
α | 90° |
β | 90.404 ± 0.002° |
γ | 90° |
Cell volume | 547.55 ± 0.17 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 K |
Number of distinct elements | 5 |
Space group number | 8 |
Hermann-Mauguin space group symbol | C 1 m 1 |
Hall space group symbol | C -2y |
Residual factor for all reflections | 0.0171 |
Residual factor for significantly intense reflections | 0.017 |
Weighted residual factors for significantly intense reflections | 0.0419 |
Weighted residual factors for all reflections included in the refinement | 0.042 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.166 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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