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Information card for entry 4121695
Preview
| Coordinates | 4121695.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C142 H220 Cl30 Cu3 I3 N6 |
|---|---|
| Calculated formula | C142 H220 Cl30 Cu3 I3 N6 |
| 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 | 15.9571 ± 0.0012 Å |
| b | 16.2774 ± 0.0013 Å |
| c | 18.1897 ± 0.0014 Å |
| α | 72.796 ± 0.003° |
| β | 72.89 ± 0.002° |
| γ | 77.158 ± 0.002° |
| Cell volume | 4265.9 ± 0.6 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0923 |
| Residual factor for significantly intense reflections | 0.0552 |
| Weighted residual factors for significantly intense reflections | 0.1126 |
| Weighted residual factors for all reflections included in the refinement | 0.1342 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179018 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/16. |
4121695.cif |
| 112744 | 2014-05-04 | cif/ Updating files of 4121695, 4121696, 4121697 Original log message: Adding full bibliography for 4121695--4121697.cif. |
4121695.cif |
| 109961 | 2014-04-18 | cif/ Adding structures of 4121695 via cif-deposit CGI script. |
4121695.cif |
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Users of the data should acknowledge the original authors of the
structural data.