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Information card for entry 4317139
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4317139.cif |
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Original paper (by DOI) | HTML |
Common name | (N-(2'-methyl-2'-mercaptopropyl)-N'-(2'-methyl-2'-sulfinatopropyl) -1-thia-4,7-diazacyclononane)(triphenylphosphine)ruthenium(II) |
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Chemical name | (N-(2'-methyl-2'-mercaptopropyl)-N'-(2'-methyl-2'-sulfinatopropyl) -1-thia-4,7-diazacyclononane)(triphenylphosphine)ruthenium(II) |
Formula | C32 H43 N2 O2 P Ru S3 |
Calculated formula | C32 H43 N2 O2 P Ru S3 |
SMILES | [Ru]1234([S]5CC[N]3(CC[N]4(CC5)CC(S1)(C)C)CC(S2(=O)=O)(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Controlled Sulfur Oxygenation of the Ruthenium Dithiolate (4,7-Bis-(2'-methyl-2'-mercaptopropyl)-1-thia-4,7- -diazacyclononane)RuPPh3 under Limiting O2 Conditions Yields Thiolato/Sulfinato, Sulfenato/Sulfinato, and Bis-Sulfinato Derivatives |
Authors of publication | César A. Masitas; Manoj Kumar; Mark S. Mashuta; Pawel M. Kozlowski; Craig A. Grapperhaus |
Journal of publication | Inorganic Chemistry |
Year of publication | 2010 |
Journal volume | 49 |
Pages of publication | 10875 - 10881 |
a | 11.0203 ± 0.0007 Å |
b | 17.4414 ± 0.0011 Å |
c | 16.0538 ± 0.001 Å |
α | 90° |
β | 96.485 ± 0.001° |
γ | 90° |
Cell volume | 3065.9 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0416 |
Residual factor for significantly intense reflections | 0.0345 |
Weighted residual factors for significantly intense reflections | 0.0712 |
Weighted residual factors for all reflections included in the refinement | 0.0735 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4317139.html
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