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Information card for entry 4320348
Preview
| Coordinates | 4320348.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H58 B6 O3 P2 Ru |
|---|---|
| Calculated formula | C46 H58 B6 O3 P2 Ru |
| SMILES | [RuH]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)([P](c6ccccc6)(c6ccccc6)c6ccccc6)[CH]67[B]81(OC)[BH]192[BH]23([B]46(OC)[BH]7812)[B]59OC.CCCCCC |
| Title of publication | The First 8-Vertex Monocarbon Metallacarborane with an "Isolated" Boron-Capped Pentagonal Bipyramidal Cage. Synthesis and Molecular Structure of Capped closo-2,2-(Ph3P)2-2-H-3,6,8-(MeO)3-RuCB6H4 |
| Authors of publication | Irina V. Pisareva; Fedor M. Dolgushin; Alexandr I. Yanovsky; Elena V. Balagurova; Pavel V. Petrovskii; Igor T. Chizhevsky |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 5318 - 5319 |
| a | 12.823 ± 0.003 Å |
| b | 13.125 ± 0.003 Å |
| c | 14.688 ± 0.003 Å |
| α | 86.34 ± 0.03° |
| β | 84.17 ± 0.03° |
| γ | 68.22 ± 0.03° |
| Cell volume | 2282.8 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1239 |
| Residual factor for significantly intense reflections | 0.0597 |
| Weighted residual factors for significantly intense reflections | 0.0925 |
| Weighted residual factors for all reflections included in the refinement | 0.1047 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179306 (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 4/32/03. |
4320348.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4320348.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4320348.cif |
| 17252 | 2011-04-06 | ../uploads/cif-deposit/cod/cif Adding structures of 4320348 via cif-deposit CGI script. |
4320348.cif |
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