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Information card for entry 7015465
Preview
| Coordinates | 7015465.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C30 H42 Br2 Cl6 N2 |
|---|---|
| Calculated formula | C30 H42 Br2 Cl6 N2 |
| SMILES | BrC1=[N+](CCCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.[Br-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
| Title of publication | Dual reactivity of N-heterocyclic carbenes towards copper(II) salts. |
| Authors of publication | Kolychev, Eugene L.; Shuntikov, Viacheslav V.; Khrustalev, Victor N.; Bush, Alexander A.; Nechaev, Mikhail S. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 12 |
| Pages of publication | 3074 - 3076 |
| a | 10.9457 ± 0.0012 Å |
| b | 21.357 ± 0.002 Å |
| c | 15.7609 ± 0.0017 Å |
| α | 90° |
| β | 95.597 ± 0.002° |
| γ | 90° |
| Cell volume | 3666.8 ± 0.7 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1278 |
| Residual factor for significantly intense reflections | 0.0574 |
| Weighted residual factors for significantly intense reflections | 0.1252 |
| Weighted residual factors for all reflections included in the refinement | 0.1398 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.871 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7015465.cif |
| 179858 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/54. |
7015465.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015465.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015465.cif |
| 21158 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015461, 7015462, 7015463, 7015464, 7015465 via cif-deposit CGI script. |
7015465.cif |
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Users of the data should acknowledge the original authors of the
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