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Information card for entry 7023121
Preview
Coordinates | 7023121.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H44 B2 I N12 U |
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Calculated formula | C30 H44 B2 I N12 U |
SMILES | [U]12345(I)([n]6n(c(cc6C)C)[BH](n6[n]1c(cc6C)C)n1[n]2c(cc1C)C)[n]1n(c(C)cc1C)[BH]([n]13[n]4c(cc1C)C)n1[n]5c(cc1C)C |
Title of publication | Crystal structure diversity in the bis[hydrotris(3,5-dimethylpyrazolyl)borate]iodouranium(III) complex: from neutral to cationic forms. |
Authors of publication | Antunes, Maria Augusta; Santos, Isabel C.; Bolvin, Hélène; Pereira, Laura C. J.; Mazzanti, Marinella; Marçalo, Joaquim; Almeida, Manuel |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 24 |
Pages of publication | 8861 - 8867 |
a | 11.3449 ± 0.0003 Å |
b | 11.779 ± 0.0002 Å |
c | 14.8966 ± 0.0003 Å |
α | 82.721 ± 0.005° |
β | 86.981 ± 0.007° |
γ | 64.714 ± 0.006° |
Cell volume | 1785.42 ± 0.11 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0197 |
Residual factor for significantly intense reflections | 0.0178 |
Weighted residual factors for significantly intense reflections | 0.0425 |
Weighted residual factors for all reflections included in the refinement | 0.0431 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
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/7023121.html
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Users of the data should acknowledge the original authors of the
structural data.