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Information card for entry 4328431
Preview
| Coordinates | 4328431.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | cesium 3,3'-commo-(10-iodo-1,2-dicarba-3-cobalta-closo-dodecaborane) -(10'-iodo-1',2'-dicarba-3'-cobalta-closo-dodecaborane) |
|---|---|
| Formula | C4 H20 B18 Co Cs I2 |
| Calculated formula | C4 H20 B18 Co Cs I2 |
| SMILES | [BH]1234[BH]567[BH]891[BH]1%105[B]5%118(I)[BH]849[BH]493[Co]3%12%13%14%1527([BH]27%16[BH]%17%18%19[BH]%20%217[CH]732[BH]23%20[BH]%20%22%23[BH]%24%13([BH]%12%16%17[BH]%18%20%24[B]%19%212%22I)[CH]%1473%23)[CH]261[CH]14%15[BH]%1052[BH]%11891.[Cs+] |
| Title of publication | Unfairly Forgotten Member of the Iodocarborane Family: Synthesis and Structural Characterization of 8-Iodo-1,2-dicarba-closo-dodecaborane, Its Precursors, and Derivatives. |
| Authors of publication | Alexander V. Safronov; Yulia V. Sevryugina; Satish S. Jalisatgi; Robert D. Kennedy; Charles L. Barnes; M. Frederick Hawthorne |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 2629 - 2637 |
| a | 7.0784 ± 0.0007 Å |
| b | 11.7918 ± 0.0011 Å |
| c | 24.599 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2053.2 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0528 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0962 |
| Weighted residual factors for all reflections included in the refinement | 0.103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179387 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/84. |
4328431.cif |
| 77397 | 2013-03-26 | cif/ Adding structures of 4328431 via cif-deposit CGI script. |
4328431.cif |
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