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Information card for entry 4333707
Preview
Coordinates | 4333707.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H59 B Na O8 P Si2 |
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Calculated formula | C29 H59 B Na O8 P Si2 |
SMILES | P([BH3])(C([Si](C)(C)C)[Si](C)(C)C)c1ccccc1.[Na]123456([O]7CC[O]1CC[O]2CC[O]3CC7)[O]1CC[O]6CC[O]5CC[O]4CC1 |
Title of publication | Phosphido-Borane and Phosphido-Bis(Borane) Complexes of the Alkali Metals, a Comparative Study |
Authors of publication | Keith Izod; James M. Watson; William Clegg; Ross W. Harrington |
Journal of publication | Inorganic Chemistry |
Year of publication | 2013 |
Journal volume | 52 |
Pages of publication | 1466 - 1475 |
a | 30.851 ± 0.008 Å |
b | 11.927 ± 0.003 Å |
c | 22.254 ± 0.006 Å |
α | 90° |
β | 114.293 ± 0.003° |
γ | 90° |
Cell volume | 7464 ± 3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0548 |
Residual factor for significantly intense reflections | 0.0396 |
Weighted residual factors for significantly intense reflections | 0.0949 |
Weighted residual factors for all reflections included in the refinement | 0.102 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 0.6946 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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