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Information card for entry 4308993
Preview
Coordinates | 4308993.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H64 B4 Zr |
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Calculated formula | C32 H64 B4 Zr |
SMILES | [Zr]1234([H][B]5(C6CCCC5CCC6)[H]1)([H][B]1(C5CCCC1CCC5)[H]2)([H][B]1(C2CCCC1CCC2)[H]3)[H][B]1(C2CCCC1CCC2)[H]4 |
Title of publication | Synthesis and X-ray and Neutron Structures of Zr{(μ-H)2BC8H14}4 |
Authors of publication | Ding, Errun; Du, Bin; Meyers, Edward A.; Shore, Sheldon G.; Yousufuddin, Muhammed; Bau, Robert; McIntyre, Garry J. |
Journal of publication | Inorganic Chemistry |
Year of publication | 2005 |
Journal volume | 44 |
Journal issue | 7 |
Pages of publication | 2459 - 2464 |
a | 11.247 ± 0.001 Å |
b | 11.389 ± 0.001 Å |
c | 12.898 ± 0.001 Å |
α | 92.65 ± 0.01° |
β | 96.55 ± 0.01° |
γ | 91.8 ± 0.01° |
Cell volume | 1638.5 ± 0.2 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 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 | 0.1637 |
Residual factor for significantly intense reflections | 0.0652 |
Weighted residual factors for significantly intense reflections | 0.0985 |
Weighted residual factors for all reflections included in the refinement | 0.113 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
Diffraction radiation wavelength | 0.9 Å |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4308993.html
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