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Information card for entry 7000040
Preview
Coordinates | 7000040.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H60 Cl In3 Ru |
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Calculated formula | C40 H60 Cl In3 Ru |
SMILES | [Ru]12345([In]6789[c]%10([c]6([c]7([c]8([c]9%10C)C)C)C)C)([In]6([Cl][In]71C1([C]7(=C(C(=C1C)C)C)C)C)C1([C]6(=C(C(=C1C)C)C)C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C |
Title of publication | Insertion reactions of GaCp*, InCp* and In[C(SiMe3)3] into the Ru-Cl bonds of [(p-cymene)RuIICl2]2 and [Cp*RuIICl]4. |
Authors of publication | Cokoja, Mirza; Gemel, Christian; Steinke, Tobias; Schroder, Felicitas; Fischer, Roland A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2005 |
Journal issue | 1 |
Pages of publication | 44 - 54 |
a | 12.038 ± 0.003 Å |
b | 20.651 ± 0.006 Å |
c | 18.467 ± 0.006 Å |
α | 90° |
β | 102.358 ± 0.008° |
γ | 90° |
Cell volume | 4484 ± 2 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 5 |
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 | 0.109 |
Residual factor for significantly intense reflections | 0.0642 |
Weighted residual factors for significantly intense reflections | 0.1402 |
Weighted residual factors for all reflections included in the refinement | 0.1576 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.947 |
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/7000040.html
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Users of the data should acknowledge the original authors of the
structural data.