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Information card for entry 4512279
Preview
| Coordinates | 4512279.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | dichloro-(bis(2-pyridylmethyl)selenide-N,N')-zinc(ii) |
|---|---|
| Formula | C12 H12 Cl2 N2 Se Zn |
| Calculated formula | C12 H12 Cl2 N2 Se Zn |
| SMILES | c1c2C[Se]Cc3cccc[n]3[Zn]([n]2ccc1)(Cl)Cl |
| Title of publication | Staging Bonding between Group 12 Metal Ions and Neutral Selenium Donors: Intermolecular Interactions of Mixed N,Se Donor Ligands and Anions |
| Authors of publication | Hain, Malia S.; Fukuda, Yoko; Rojas Ramírez, Carolina; Winer, Benjamin Y.; Winslow, Stephanie E.; Pike, Robert D.; Bebout, Deborah C. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 12 |
| Pages of publication | 6497 |
| a | 8.9256 ± 0.0001 Å |
| b | 8.9256 ± 0.0001 Å |
| c | 18.4297 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1468.23 ± 0.03 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 96 |
| Hermann-Mauguin space group symbol | P 43 21 2 |
| Hall space group symbol | P 4nw 2abw |
| Residual factor for all reflections | 0.0188 |
| Residual factor for significantly intense reflections | 0.0187 |
| Weighted residual factors for significantly intense reflections | 0.0533 |
| Weighted residual factors for all reflections included in the refinement | 0.0533 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.916 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179669 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/22. |
4512279.cif |
| 131322 | 2015-02-07 | cif/ Updating files of 4512278, 4512279, 4512280, 4512281, 4512282, 4512283, 4512284 Original log message: Adding full bibliography for 4512278--4512284.cif. |
4512279.cif |
| 127341 | 2014-11-16 | cif/ Adding structures of 4512278, 4512279, 4512280, 4512281, 4512282, 4512283, 4512284 via cif-deposit CGI script. |
4512279.cif |
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