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Information card for entry 7712170
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Coordinates | 7712170.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H17 Cu N5 O6 |
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Calculated formula | C16 H17 Cu N5 O6 |
Title of publication | Two temperature-induced 1D Cu<sup>II</sup> chain enantiomeric pairs showing different magnetic properties and nonlinear optical responses. |
Authors of publication | Li, Xi-Li; Li, Yanan; Wang, Ailing; Gao, Congli; Cui, Minghui; Liu, Cai-Ming; Zhou, Liming |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2023 |
Journal volume | 52 |
Journal issue | 8 |
Pages of publication | 2440 - 2447 |
a | 11.307 ± 0.003 Å |
b | 12.101 ± 0.003 Å |
c | 13.657 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1868.6 ± 0.8 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0558 |
Residual factor for significantly intense reflections | 0.0472 |
Weighted residual factors for significantly intense reflections | 0.1191 |
Weighted residual factors for all reflections included in the refinement | 0.1218 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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283237 (current) | 2023-05-05 | cif/ Updating files of 7712168, 7712169, 7712170, 7712171 Original log message: Adding full bibliography for 7712168--7712171.cif. |
7712170.cif |
280448 | 2023-01-20 | cif/ Adding structures of 7712168, 7712169, 7712170, 7712171 via cif-deposit CGI script. |
7712170.cif |
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