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Information card for entry 7026578
Preview
Coordinates | 7026578.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | B12 I12 Na2 O16 S8 |
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Calculated formula | B12 I12 Na2 O16 S8 |
SMILES | [B]1234([B]567([B]891([B]1%102([B]2%113([B]345(I)[B]456([B]679([B]781([B]1%102(I)[B]467([B]%11351I)I)I)I)I)I)I)I)I)I.O=S=O.[Na+].O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.[Na+].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 | 19.834 ± 0.004 Å |
b | 20.079 ± 0.004 Å |
c | 11.421 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4548.4 ± 1.5 Å3 |
Cell temperature | 160 ± 2 K |
Ambient diffraction temperature | 160 ± 2 K |
Number of distinct elements | 5 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0206 |
Residual factor for significantly intense reflections | 0.0192 |
Weighted residual factors for significantly intense reflections | 0.04 |
Weighted residual factors for all reflections included in the refinement | 0.0403 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.282 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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