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Information card for entry 7036308
Preview
Coordinates | 7036308.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H42 Ir2 S4 |
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Calculated formula | C40 H42 Ir2 S4 |
SMILES | c12c3c(ccc1)cccc3S[Ir]13456([c]7([c]5([c]4([c]3([c]17C)C)C)C)C)[S]2[Ir]12345([S]6c6cccc7cccc(S1)c67)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C |
Title of publication | Structural diversity of bimetallic rhodium and iridium half sandwich dithiolato complexes. |
Authors of publication | Nejman, Phillip S.; Morton-Fernandez, Brian; Moulding, David J.; Athukorala Arachchige, Kasun S.; Cordes, David B.; Slawin, Alexandra M. Z.; Kilian, Petr; Woollins, J. Derek |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 38 |
Pages of publication | 16758 - 16766 |
a | 9.8117 ± 0.0009 Å |
b | 16.2184 ± 0.0013 Å |
c | 10.8329 ± 0.0008 Å |
α | 90° |
β | 90.33 ± 0.006° |
γ | 90° |
Cell volume | 1723.8 ± 0.2 Å3 |
Cell temperature | 125 K |
Ambient diffraction temperature | 125 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0162 |
Residual factor for significantly intense reflections | 0.0149 |
Weighted residual factors for significantly intense reflections | 0.0329 |
Weighted residual factors for all reflections included in the refinement | 0.0334 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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