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Information card for entry 7026577
Preview
Coordinates | 7026577.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | B12 Br12 Na2 O16 S8 |
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Calculated formula | B12 Br12 Na2 O16 S8 |
SMILES | [B]1234([B]567([B]893([B]3%102([B]2%111(Br)[B]1%123([B]3%13%14([B]8%101([B]693([B]17%13([B]452([B]%11%12%141Br)Br)Br)Br)Br)Br)Br)Br)Br)Br)Br.[Na]([O]=S=O)([O]=S=O)([O]=S=O)[O]=S=O.[Na]([O]=S=O)([O]=S=O)([O]=S=O)[O]=S=O |
Title of publication | Alkali metal-sulfur dioxide complexes stabilized by halogenated closo-dodecaborate anions. |
Authors of publication | Derendorf, Janis; Kessler, Mathias; Knapp, Carsten; Rühle, Monika; Schulz, Christoph |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2010 |
Journal volume | 39 |
Journal issue | 37 |
Pages of publication | 8671 - 8678 |
a | 9.811 ± 0.002 Å |
b | 20.979 ± 0.004 Å |
c | 9.98 ± 0.005 Å |
α | 90° |
β | 103.46 ± 0.03° |
γ | 90° |
Cell volume | 1997.7 ± 1.2 Å3 |
Cell temperature | 160 ± 2 K |
Ambient diffraction temperature | 160 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0342 |
Residual factor for significantly intense reflections | 0.027 |
Weighted residual factors for significantly intense reflections | 0.0577 |
Weighted residual factors for all reflections included in the refinement | 0.0597 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.