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Information card for entry 1508533
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1508533.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | B4 H16 Zr |
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Calculated formula | B4 H16 Zr |
SMILES | [Zr]12345678([H][BH]([H]1)[H]5)([H][BH]([H]2)[H]7)([H][BH]([H]3)[H]8)[H][BH]([H]4)[H]6 |
Title of publication | Synthesis and Structural Investigation of Zr(BH4)4 |
Authors of publication | Rude, Line H.; Corno, Marta; Ugliengo, Piero; Baricco, Marcello; Lee, Young-Su; Cho, Young Whan; Besenbacher, Flemming; Overgaard, Jacob; Jensen, Torben R. |
Journal of publication | The Journal of Physical Chemistry C |
Year of publication | 2012 |
Journal volume | 116 |
Journal issue | 38 |
Pages of publication | 20239 |
a | 5.8387 ± 0.0004 Å |
b | 5.8387 ± 0.0004 Å |
c | 5.8387 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 199.04 ± 0.02 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 215 |
Hermann-Mauguin space group symbol | P -4 3 m |
Hall space group symbol | P -4 2 3 |
Residual factor for all reflections | 0.0154 |
Residual factor for significantly intense reflections | 0.0154 |
Weighted residual factors for significantly intense reflections | 0.0296 |
Weighted residual factors for all reflections included in the refinement | 0.0296 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.176 |
Diffraction radiation probe | x-ray |
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/1508533.html
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Users of the data should acknowledge the original authors of the
structural data.