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Information card for entry 7039042
Preview
Coordinates | 7039042.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C55 H74 B8 Cl2 P3 Rh S |
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Calculated formula | C55 H74 B8 Cl2 P3 Rh S |
SMILES | [Rh]12(S34[BH]567[BH]813[BH]135[BH]596[BH]63([BH]281[H]6)[BH]5([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[BH]479)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl |
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 | 9.5067 ± 0.0013 Å |
b | 12.22 ± 0.0017 Å |
c | 26.458 ± 0.004 Å |
α | 88.643 ± 0.002° |
β | 81.179 ± 0.002° |
γ | 69.276 ± 0.002° |
Cell volume | 2839.2 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0458 |
Residual factor for significantly intense reflections | 0.0358 |
Weighted residual factors for significantly intense reflections | 0.083 |
Weighted residual factors for all reflections included in the refinement | 0.0877 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7039042.html
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Users of the data should acknowledge the original authors of the
structural data.