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Information card for entry 4318294
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4318294.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H36 I2 N6 Zr2 |
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Calculated formula | C12 H36 I2 N6 Zr2 |
SMILES | I[Zr]1([N]([Zr](I)([N]1(C)C)(N(C)C)N(C)C)(C)C)(N(C)C)N(C)C |
Title of publication | Synthesis and Structures of Zirconium Amide-Iodide Complexes |
Authors of publication | Jean-Sébastien M. Lehn; David M. Hoffman |
Journal of publication | Inorganic Chemistry |
Year of publication | 2002 |
Journal volume | 41 |
Pages of publication | 4063 - 4067 |
a | 8.5884 ± 0.0006 Å |
b | 8.7949 ± 0.0006 Å |
c | 18.1676 ± 0.0012 Å |
α | 92.487 ± 0.001° |
β | 99.479 ± 0.001° |
γ | 117.836 ± 0.001° |
Cell volume | 1185.48 ± 0.14 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0293 |
Residual factor for significantly intense reflections | 0.0258 |
Weighted residual factors for significantly intense reflections | 0.0732 |
Weighted residual factors for all reflections included in the refinement | 0.0782 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.162 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4318294.html
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Users of the data should acknowledge the original authors of the
structural data.