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Information card for entry 7012260
Preview
Coordinates | 7012260.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H54 Bi2 O18 |
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Calculated formula | C54 H54 Bi2 O18 |
SMILES | [Bi]123([O]=C(c4c(cccc4)OCC)O3)([O]=C(c3c(OCC)cccc3)O1)OC(=[O]2)c1c(cccc1)OCC |
Title of publication | Solvent-free synthesis of bismuth thiolates and carboxylates |
Authors of publication | Andrews, Philip C.; Deacon, Glen B.; Jackson, W. Roy; Maguire, Melissa; Scott, Natalie M.; Skelton, Brian W.; White, Allan H. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2002 |
Journal issue | 24 |
Pages of publication | 4634 |
a | 10.5533 ± 0.0009 Å |
b | 11.3356 ± 0.001 Å |
c | 12.3665 ± 0.001 Å |
α | 87.561 ± 0.002° |
β | 71.084 ± 0.002° |
γ | 67.11 ± 0.002° |
Cell volume | 1283.34 ± 0.19 Å3 |
Cell temperature | 153 K |
Ambient diffraction temperature | 153 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.035 |
Residual factor for significantly intense reflections | 0.024 |
Weighted residual factors for all reflections | 0.02 |
Weighted residual factors for all reflections included in the refinement | 0.019 |
Goodness-of-fit parameter for all reflections | 0.98 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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