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Information card for entry 1563380
Preview
Coordinates | 1563380.cif |
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Original paper (by DOI) | HTML |
Formula | C8 H32 Cl2 In2 N8 S2 |
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Calculated formula | C8 H32 Cl2 In2 N8 S2 |
SMILES | C1C[NH2][In]23([NH2]1)(S[In]14([NH2]CC[NH2]1)(S3)[NH2]CC[NH2]4)[NH2]CC[NH2]2.[Cl-].[Cl-] |
Title of publication | Zero- and one-dimensional thioindates synthesized under solvothermal conditions yielding α-In2S3, β-In2S3 or MgIn2S4 as thermal decomposition products |
Authors of publication | Quiroga-González, E.; Kienle, L.; Näther, C.; Chakravadhanula, V.S.K.; Lühmann, H.; Bensch, W. |
Journal of publication | Journal of Solid State Chemistry |
Year of publication | 2010 |
Journal volume | 183 |
Journal issue | 12 |
Pages of publication | 2805 - 2812 |
a | 6.4859 ± 0.0003 Å |
b | 11.1962 ± 0.0009 Å |
c | 14.2509 ± 0.0008 Å |
α | 90° |
β | 93.763 ± 0.006° |
γ | 90° |
Cell volume | 1032.63 ± 0.11 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0249 |
Residual factor for significantly intense reflections | 0.0213 |
Weighted residual factors for significantly intense reflections | 0.0532 |
Weighted residual factors for all reflections included in the refinement | 0.0544 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
266424 (current) | 2021-06-14 | cif/ Adding structures of 1563380, 1563381 via cif-deposit CGI script. |
1563380.cif |
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Users of the data should acknowledge the original authors of the
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