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Information card for entry 4301601
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Coordinates | 4301601.cif |
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Original paper (by DOI) | HTML |
Chemical name | catena-{{μ2-1,2-bis(1,2,4-triazol-4-yl)ethane-κN1:κN1'}-bis- isothiocyanato-κN-zinc(II)} |
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Formula | C8 H8 N8 S2 Zn |
Calculated formula | C8 H8 N8 S2 Zn |
Title of publication | Crystal Structure Solid-State Cross Polarization Magic Angle Spinning 13C NMR Correlation in Luminescent d10 Metal-Organic Frameworks Constructed with the 1,2-Bis(1,2,4-triazol-4-yl)ethane Ligand |
Authors of publication | Hesham A. Habib; Anke Hoffmann; Henning A. Höppe; Gunther Steinfeld; Christoph Janiak |
Journal of publication | Inorganic Chemistry |
Year of publication | 2009 |
Journal volume | 48 |
Pages of publication | 2166 - 2180 |
a | 14.8982 ± 0.0019 Å |
b | 9.5144 ± 0.0011 Å |
c | 19.584 ± 0.002 Å |
α | 90° |
β | 106.316 ± 0.002° |
γ | 90° |
Cell volume | 2664.2 ± 0.5 Å3 |
Cell temperature | 203 ± 2 K |
Ambient diffraction temperature | 203 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0577 |
Residual factor for significantly intense reflections | 0.0367 |
Weighted residual factors for significantly intense reflections | 0.069 |
Weighted residual factors for all reflections included in the refinement | 0.0774 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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