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Information card for entry 1561555
Preview
Coordinates | 1561555.cif |
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Original paper (by DOI) | HTML |
Formula | C13 H11 Cd N O7 |
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Calculated formula | C13 H11 Cd N O7 |
Title of publication | Configurations, band structures and photocurrent responses of 4-(4-oxopyridin-1(4H)-yl)phthalic acid and its metal-organic frameworks |
Authors of publication | Yan, Xingxiu; Qiu, Xiandeng; Yan, Zhishuo; Li, Hongjiang; Gong, Yun; Lin, Jianhua |
Journal of publication | Journal of Solid State Chemistry |
Year of publication | 2016 |
Journal volume | 237 |
Pages of publication | 313 - 322 |
a | 7.914 ± 0.0006 Å |
b | 9.2739 ± 0.0008 Å |
c | 10.3051 ± 0.0009 Å |
α | 70.95 ± 0.001° |
β | 74.538 ± 0.002° |
γ | 66.084 ± 0.001° |
Cell volume | 645.59 ± 0.09 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0411 |
Residual factor for significantly intense reflections | 0.0366 |
Weighted residual factors for significantly intense reflections | 0.0983 |
Weighted residual factors for all reflections included in the refinement | 0.1004 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
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/1561555.html
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