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Information card for entry 4060554
Preview
Coordinates | 4060554.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C91 H81 N11 O6 Ru2 Si2 |
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Calculated formula | C91 H81 N11 O6 Ru2 Si2 |
SMILES | [Ru]1234([Ru]([N](=CN1c1cccc(c1)OC)c1cccc(c1)OC)([N](=CN2c1cccc(c1)OC)c1cccc(c1)OC)([N](=CN3c1cccc(c1)OC)c1cccc(c1)OC)([N](=C(N4C)c1ccc(cc1)c1nnn(c1)Cc1ccccc1)C)C#CC#C[Si](C)(C)C)C#CC#C[Si](C)(C)C.Cc1ccccc1.Cc1ccccc1 |
Title of publication | Covalent Modification of Diruthenium Metallaynes: A Novel Application of Click Reaction in Organometallic Chemistry |
Authors of publication | Xu, Guo-Lin; Ren, Tong |
Journal of publication | Organometallics |
Year of publication | 2005 |
Journal volume | 24 |
Journal issue | 11 |
Pages of publication | 2564 - 2566 |
a | 14.32 ± 0.0006 Å |
b | 16.7241 ± 0.0007 Å |
c | 18.8792 ± 0.0008 Å |
α | 99.497 ± 0.001° |
β | 98.636 ± 0.001° |
γ | 93.273 ± 0.001° |
Cell volume | 4393.3 ± 0.3 Å3 |
Cell temperature | 300 ± 2 K |
Ambient diffraction temperature | 300 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1119 |
Residual factor for significantly intense reflections | 0.0499 |
Weighted residual factors for significantly intense reflections | 0.1053 |
Weighted residual factors for all reflections included in the refinement | 0.1215 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
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/4060554.html
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Users of the data should acknowledge the original authors of the
structural data.