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Information card for entry 7040106
Preview
Coordinates | 7040106.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H28 B14 Cd N4 O26 |
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Calculated formula | C20 H28 B14 Cd N4 O26 |
SMILES | B1(O)OB2[O]3[Cd]45([n]6ccccc6)([n]6ccccc6)[O]6[B]7(OB(O)O[B]8(O7)[O]5B(O2)OB(O)O8)OB(O)OB6OB2OB(O)O[B]5(OB(O)O[B]3(O1)O5)[O]42.c1ccc[nH+]c1.c1c[nH+]ccc1 |
Title of publication | A series of inorganic-organic hybrid cadmium borates with novel Cd-centred [Cd@B14O20(OH)6](2-) clusters. |
Authors of publication | Wei, Qi; Zhang, Ya-Jun; Song, Ying; Yang, Guo-Yu; Zou, Xiaodong |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 35 |
Pages of publication | 13937 - 13943 |
a | 8.8646 ± 0.0008 Å |
b | 17.9069 ± 0.0014 Å |
c | 13.6073 ± 0.0014 Å |
α | 90° |
β | 119.498 ± 0.007° |
γ | 90° |
Cell volume | 1880 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0466 |
Residual factor for significantly intense reflections | 0.0369 |
Weighted residual factors for significantly intense reflections | 0.1058 |
Weighted residual factors for all reflections included in the refinement | 0.1211 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.192 |
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/7040106.html
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