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Information card for entry 4121696
Preview
| Coordinates | 4121696.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H39 Cu0.5 N |
|---|---|
| Calculated formula | C27 H39 Cu0.5 N |
| Title of publication | Isolation of Neutral Mononuclear Copper Complexes Stabilized by Two Cyclic (Alkyl)(amino)carbenes. |
| Authors of publication | Weinberger, David S.; Amin Sk, Nurul; Mondal, Kartik Chandra; Melaimi, Mohand; Bertrand, Guy; Stückl, A Claudia; Roesky, Herbert W.; Dittrich, Birger; Demeshko, Serhiy; Schwederski, Brigitte; Kaim, Wolfgang; Jerabek, Paul; Frenking, Gernot |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 17 |
| Pages of publication | 6235 - 6238 |
| a | 10.567 ± 0.002 Å |
| b | 10.594 ± 0.002 Å |
| c | 11.848 ± 0.002 Å |
| α | 70.38 ± 0.03° |
| β | 74.26 ± 0.03° |
| γ | 75.68 ± 0.03° |
| Cell volume | 1184.5 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0357 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0941 |
| Weighted residual factors for all reflections included in the refinement | 0.0965 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.6199 Å |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4121696.cif |
| 112744 | 2014-05-04 | cif/ Updating files of 4121695, 4121696, 4121697 Original log message: Adding full bibliography for 4121695--4121697.cif. |
4121696.cif |
| 109962 | 2014-04-18 | cif/ Adding structures of 4121696 via cif-deposit CGI script. |
4121696.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.