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Information card for entry 7040107
Preview
Coordinates | 7040107.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H30 B14 Cd N6 O26 |
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Calculated formula | C12 H30 B14 Cd N6 O26 |
SMILES | [B]123OB(OB4[O]1[Cd]15([n]6ccn(c6)CCC[NH3+])([O]6B(OB7[O]5[B]5(OB(O)O7)OB(O[B]7([O]1B(O4)OB(O)O7)O5)O)OB(O[B]6(OB(O)O2)O3)O)[n]1ccn(c1)CCC[NH3+])O |
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 | 8.669 ± 0.003 Å |
b | 10.432 ± 0.003 Å |
c | 10.894 ± 0.003 Å |
α | 64.464 ± 0.009° |
β | 83.035 ± 0.015° |
γ | 77.581 ± 0.014° |
Cell volume | 867.7 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0284 |
Residual factor for significantly intense reflections | 0.0263 |
Weighted residual factors for significantly intense reflections | 0.0625 |
Weighted residual factors for all reflections included in the refinement | 0.0636 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
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/7040107.html
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