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Information card for entry 8102507
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Coordinates | 8102507.cif |
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Formula | C20 H14 N10 Zn |
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Calculated formula | C20 H14 N10 Zn |
SMILES | [Zn]12([n]3ccccc3c3[n]1c(cc(c3)c1ncccc1)c1[n]2cccc1)(N=N#N)N=N#N |
Title of publication | Crystal structure of (4'-(2-pyridyl)-2,2':6',2''-terpyridine)zink(II) diazide, Zn(C20H14N4)(N3)2 |
Authors of publication | Lei Gou |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2009 |
Journal volume | 224 |
Journal issue | 4 |
Pages of publication | 561 |
a | 8.8095 ± 0.0012 Å |
b | 8.913 ± 0.0012 Å |
c | 13.1119 ± 0.0017 Å |
α | 79.281 ± 0.002° |
β | 73.733 ± 0.002° |
γ | 81.731 ± 0.002° |
Cell volume | 966.5 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0396 |
Residual factor for significantly intense reflections | 0.0329 |
Weighted residual factors for significantly intense reflections | 0.093 |
Weighted residual factors for all reflections included in the refinement | 0.0956 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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