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Information card for entry 7033910
Preview
| Coordinates | 7033910.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H58 Cl6 Cu4 N4 Se8 |
|---|---|
| Calculated formula | C30 H58 Cl6 Cu4 N4 Se8 |
| SMILES | C1([Se]2[Cu]3456[Se]=C(N(CCC)CCC)[Se]7[Cu]89%103[Cu]34([Cu]2578[Se]=C(N(CCC)CCC)[Se]93)([Se]=1)[Se]6C(N(CCC)CCC)=[Se]%10)N(CCC)CCC.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
| Title of publication | Copper(i) diselenocarbamate clusters: synthesis, structures and single-source precursors for Cu and Se composite materials. |
| Authors of publication | Dhayal, Rajendra S.; Liao, Jian-Hong; Hou, Hsing-Nan; Ervilita, Ria; Liao, Ping-Kuei; Liu, C. W. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 12 |
| Pages of publication | 5898 - 5908 |
| a | 11.7089 ± 0.0005 Å |
| b | 17.4277 ± 0.0007 Å |
| c | 26.6735 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5443 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P c a n |
| Hall space group symbol | -P 2n 2c |
| Residual factor for all reflections | 0.1028 |
| Residual factor for significantly intense reflections | 0.0621 |
| Weighted residual factors for significantly intense reflections | 0.1661 |
| Weighted residual factors for all reflections included in the refinement | 0.1912 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180045 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/39. |
7033910.cif |
| 134992 | 2015-04-06 | cif/ Updating files of 7033910, 7033911, 7033912, 7033913, 7033914 Original log message: Adding full bibliography for 7033910--7033914.cif. |
7033910.cif |
| 131220 | 2015-02-06 | cif/ Adding structures of 7033910, 7033911, 7033912, 7033913, 7033914 via cif-deposit CGI script. |
7033910.cif |
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