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Information card for entry 4115691
Preview
| Coordinates | 4115691.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H34 B6 Cl2 Re2 |
|---|---|
| Calculated formula | C20 H34 B6 Cl2 Re2 |
| SMILES | [Re]123456789%10([Re]%11%12%13%14%15%16%17%18%19([B]%201(Cl)[B]2%11(Cl)[BH]3%12[BH]4%13[BH]5%14[BH]6%15%20)[c]1([c]%16([c]%17([c]%18([c]%191C)C)C)C)C)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C |
| Title of publication | Synthesis and Characterization of Bicapped Hexagonal Bipyramidal 2,3-Cl2-1,8-{Cp*Re}2B6H4[{Cp*Re}2{μ-η6:η6-1,2-B6H4Cl2}, Cp* = η5-C5Me5]: The Missing Link Connecting (p - 2) Skeletal Electron Pair Hypoelectronic Rhenaboranes and 24-Valence Electron Triple-Decker Complexes |
| Authors of publication | Sundargopal Ghosh; Alicia M. Beatty; Thomas P. Fehlner |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2001 |
| Journal volume | 123 |
| Pages of publication | 9188 - 9189 |
| a | 10.5106 ± 0.001 Å |
| b | 14.3786 ± 0.0013 Å |
| c | 16.7764 ± 0.0016 Å |
| α | 89.965 ± 0.002° |
| β | 89.905 ± 0.002° |
| γ | 85.253 ± 0.002° |
| Cell volume | 2526.7 ± 0.4 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 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 | 0.0421 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.0794 |
| Weighted residual factors for all reflections included in the refinement | 0.0872 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178927 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/56. |
4115691.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4115691.cif |
| 69412 | 2012-12-14 | cif/ Adding structures of 4115691 via cif-deposit CGI script. |
4115691.cif |
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