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Information card for entry 7015536
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Coordinates | 7015536.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H19 N6 Ni S4 |
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Calculated formula | C19 H19 N6 Ni S4 |
Title of publication | A low-dimensional molecular spin system with two steps of magnetic transitions and liquid crystal property. |
Authors of publication | Duan, Hai-Bao; Ren, Xiao-Ming; Shen, Lin-Jiang; Jin, Wan-Qin; Meng, Qing-Jin; Tian, Zheng-Fang; Zhou, Shi-Ming |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 14 |
Pages of publication | 3622 - 3630 |
a | 4.454 ± 0.0005 Å |
b | 13.6238 ± 0.0015 Å |
c | 20.238 ± 0.002 Å |
α | 84.472 ± 0.009° |
β | 85.962 ± 0.008° |
γ | 82.683 ± 0.009° |
Cell volume | 1210.3 ± 0.2 Å3 |
Cell temperature | 105 ± 2 K |
Ambient diffraction temperature | 105 ± 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 | 0.0591 |
Residual factor for significantly intense reflections | 0.0442 |
Weighted residual factors for significantly intense reflections | 0.1363 |
Weighted residual factors for all reflections included in the refinement | 0.1401 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.226 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7015536.html
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structural data.