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Information card for entry 4071929
Preview
| Coordinates | 4071929.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H27 B Mo N6 O2 S |
|---|---|
| Calculated formula | C24 H27 B Mo N6 O2 S |
| SMILES | [Mo]12([n]3n([BH](n4[n]1c(C)cc4C)n1[n]2c(C)cc1C)c(cc3C)C)(C#[O])(C#[O])#CSc1ccccc1 |
| Title of publication | Reactions of [Mo(CBr)(CO)2{HB(pzMe2)3}] (pz = pyrazol-1-yl) with Amines: Synthesis of Amino, Pyridinium, and Thiolato Carbyne Complexes |
| Authors of publication | Cordiner, Richard L.; Hill, Anthony F.; Wagler, Jörg |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 17 |
| Pages of publication | 4532 |
| a | 10.7556 ± 0.0002 Å |
| b | 14.796 ± 0.0003 Å |
| c | 17.6052 ± 0.0003 Å |
| α | 108.689 ± 0.001° |
| β | 90.741 ± 0.001° |
| γ | 103.944 ± 0.001° |
| Cell volume | 2563.34 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.057 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.0939 |
| Weighted residual factors for all reflections included in the refinement | 0.0994 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4071929.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071929.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071929.cif |
| 44129 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071929 via cif-deposit CGI script. |
4071929.cif |
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Users of the data should acknowledge the original authors of the
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