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Information card for entry 4512283
Preview
| Coordinates | 4512283.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | bis(nitrato-O,O')-(1,2-bis(2-pyridylmethyl)diselane-N,N',Se)-cadmium(ii) |
|---|---|
| Formula | C12 H12 Cd N4 O6 Se2 |
| Calculated formula | C12 H12 Cd N4 O6 Se2 |
| SMILES | [Cd]1234([Se]([Se]Cc5[n]4cccc5)Cc4[n]3cccc4)(ON(=[O]1)=O)ON(=[O]2)=O |
| 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 | 8.065 ± 0.0001 Å |
| b | 8.5158 ± 0.0001 Å |
| c | 13.8712 ± 0.0002 Å |
| α | 80.125 ± 0.0006° |
| β | 81.855 ± 0.0006° |
| γ | 63.48 ± 0.0005° |
| Cell volume | 837.509 ± 0.019 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.027 |
| Residual factor for significantly intense reflections | 0.0268 |
| Weighted residual factors for significantly intense reflections | 0.0711 |
| Weighted residual factors for all reflections included in the refinement | 0.0712 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| 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. |
4512283.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. |
4512283.cif |
| 127341 | 2014-11-16 | cif/ Adding structures of 4512278, 4512279, 4512280, 4512281, 4512282, 4512283, 4512284 via cif-deposit CGI script. |
4512283.cif |
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Users of the data should acknowledge the original authors of the
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