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Information card for entry 4512279
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Coordinates | 4512279.cif |
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Original paper (by DOI) | HTML |
Chemical name | dichloro-(bis(2-pyridylmethyl)selenide-N,N')-zinc(ii) |
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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 |
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