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Information card for entry 4341440
Preview
| Coordinates | 4341440.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H4 Ba12 In |
|---|---|
| Calculated formula | C18 H4 Ba12 In |
| SMILES | C(=[C-2])=[C-2].[Ba+2].[In+3].[Ba+2].[C-2]=C=[C-2].[Ba+2].[C-2]=C=[C-2].[Ba+2].[Ba+2].[C-2]=C=[C-2].[Ba+2].[C-2]=C=[C-2].[Ba+2].[Ba+2].[C-2]=C=[C-2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[H-].[H-].[H-].[H-] |
| Title of publication | Ca12InC13-x and Ba12InC18H4: Alkaline-Earth Indium Allenylides Synthesized in AE/Li Flux (AE = Ca, Ba). |
| Authors of publication | Blankenship, Trevor V.; Dickman, Matthew J.; van de Burgt, Lambertus J.; Latturner, Susan E. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 3 |
| Pages of publication | 914 - 921 |
| a | 11.1447 ± 0.0007 Å |
| b | 11.1447 ± 0.0007 Å |
| c | 11.1447 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1384.22 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 204 |
| Hermann-Mauguin space group symbol | I m -3 |
| Hall space group symbol | -I 2 2 3 |
| Residual factor for all reflections | 0.0178 |
| Residual factor for significantly intense reflections | 0.0178 |
| Weighted residual factors for significantly intense reflections | 0.0447 |
| Weighted residual factors for all reflections included in the refinement | 0.0447 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.272 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179517 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/14. |
4341440.cif |
| 130527 | 2015-02-04 | cif/ Updating files of 4341440, 4341441, 4341442 Original log message: Adding full bibliography for 4341440--4341442.cif. |
4341440.cif |
| 126608 | 2014-11-07 | cif/ Adding structures of 4341440, 4341441, 4341442 via cif-deposit CGI script. |
4341440.cif |
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