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Information card for entry 4109215
Preview
| Coordinates | 4109215.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H43 B9 Os P2 |
|---|---|
| Calculated formula | C38 H43 B9 Os P2 |
| SMILES | [OsH2]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[CH]567[BH]891[BH]1%105[BH]5%116[BH]627[BH]27%11[BH]%11%105[BH]591[CH]138[BH]462[BH]7%1151 |
| Title of publication | Stable exo-nido-Metallacarboranes (M = OsIV) that Incorporatemeta-Carborane-Based Dicarbollide Ligands |
| Authors of publication | Elena V. Balagurova; Dmitri N. Cheredilin; Galina D. Kolomnikova; Oleg L. Tok; Fedor M. Dolgushin; Alexander I. Yanovsky; Igor T. Chizhevsky |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 3745 - 3753 |
| a | 9.5182 ± 0.0009 Å |
| b | 10.1237 ± 0.001 Å |
| c | 19.7856 ± 0.0019 Å |
| α | 80.437 ± 0.002° |
| β | 78.666 ± 0.002° |
| γ | 80.784 ± 0.002° |
| Cell volume | 1827.3 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0729 |
| Residual factor for significantly intense reflections | 0.0585 |
| Weighted residual factors for significantly intense reflections | 0.1162 |
| Weighted residual factors for all reflections included in the refinement | 0.1194 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.887 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4109215.cif |
| 178838 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/92. |
4109215.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109215.cif |
| 57970 | 2012-05-23 | cif/ Adding structures of 4109215 via cif-deposit CGI script. |
4109215.cif |
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Users of the data should acknowledge the original authors of the
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