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Information card for entry 4071889
Preview
| Coordinates | 4071889.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H34 B9 N |
|---|---|
| Calculated formula | C17 H34 B9 N |
| SMILES | C1(=CCc2c1cccc2)C([C]123[CH]45[BH]678[BH]9%10%11[BH]146[BH]13%11[BH]32[BH2]24[BH]57[BH]892[BH]%10134)(C)C.[NH+](C)(C)C |
| Title of publication | Synthesis, Structure, and Reactivity of Group 4 Metallacarboranes Bearing the Ligand [Me2C(C9H6)(C2B9H10)]3− |
| Authors of publication | Liu, Dongmei; Wang, Yaorong; Chan, Hoi-Shan; Tang, Yong; Xie, Zuowei |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 20 |
| Pages of publication | 5295 |
| a | 9.3447 ± 0.0013 Å |
| b | 13.4617 ± 0.0018 Å |
| c | 34.022 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4279.8 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1931 |
| Residual factor for significantly intense reflections | 0.0967 |
| Weighted residual factors for significantly intense reflections | 0.2617 |
| Weighted residual factors for all reflections included in the refinement | 0.3432 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178607 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/18. |
4071889.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071889.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071889.cif |
| 44099 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071889, 4071890, 4071891, 4071892, 4071893, 4071894 via cif-deposit CGI script. |
4071889.cif |
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Users of the data should acknowledge the original authors of the
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