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Information card for entry 7039041
Preview
Coordinates | 7039041.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H47 B8 Cl3 N P2 Rh S |
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Calculated formula | C43 H47 B8 Cl3 N P2 Rh S |
SMILES | [Rh]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)S34[BH]567[BH]813[BH]135[BH]596[BH]63([BH]281[H]6)[BH]5([BH]479)[n]1ccccc1C.C(Cl)(Cl)Cl |
Title of publication | Postsynthetic modifications of [2,2,2-(H)(PPh3)2-closo-2,1-RhSB8H8] with Lewis bases: cluster modular tuning. |
Authors of publication | Luaces, Susana; Passarelli, Vincenzo; Artigas, María José; Lahoz, Fernando J.; Oro, Luis A.; Macías, Ramón |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 20 |
Pages of publication | 8622 - 8636 |
a | 16.0929 ± 0.0011 Å |
b | 10.6606 ± 0.0008 Å |
c | 26.1385 ± 0.0018 Å |
α | 90° |
β | 93.303 ± 0.001° |
γ | 90° |
Cell volume | 4476.9 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0951 |
Residual factor for significantly intense reflections | 0.0466 |
Weighted residual factors for significantly intense reflections | 0.1014 |
Weighted residual factors for all reflections included in the refinement | 0.1231 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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