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Information card for entry 4079754
Preview
Coordinates | 4079754.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H86 B Br P2 Pt |
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Calculated formula | C64 H86 B Br P2 Pt |
SMILES | [Pt](Br)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(B1C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1 |
Title of publication | Borole-Derived Spirocyclic Tetraorganoborate |
Authors of publication | Braunschweig, Holger; Hörl, Christian; Hupp, Florian; Radacki, Krzysztof; Wahler, Johannes |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 23 |
Pages of publication | 8463 |
a | 22.942 ± 0.003 Å |
b | 15.907 ± 0.003 Å |
c | 36.271 ± 0.006 Å |
α | 90° |
β | 90.922 ± 0.004° |
γ | 90° |
Cell volume | 13235 ± 4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0363 |
Residual factor for significantly intense reflections | 0.0274 |
Weighted residual factors for significantly intense reflections | 0.0604 |
Weighted residual factors for all reflections included in the refinement | 0.0624 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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