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Information card for entry 4068842
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Coordinates | 4068842.cif |
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Original paper (by DOI) | HTML |
Common name | [(η^5^-C~5~Me~5~)Ru{C-CH=CPh~2~}(PEt~3~)~2~] [B(C~8~H~3~F~6~)~4~]~2~.2(FC~6~H~5~) |
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Chemical name | (3,3-diphenylprop-2-en-1-ynyl)-(η^5^-pentamethylcyclopentadienyl)-bis(triethyl phosphine)-ruthenium(II) tetrakis{3,5-bis(trifluoromethyl)phenyl}borate 2 fluorobenzene solvate |
Formula | C113 H90 B2 F50 P2 Ru |
Calculated formula | C113 H90 B2 F50 P2 Ru |
Title of publication | Allenylidene/Alkenylcarbyne Synthesis and Reactivity in Ruthenium Complexes with Monodentate Phosphine Ligands |
Authors of publication | Pino-Chamorro, Jose Angel; Bustelo, Emilio; Puerta, M. Carmen; Valerga, Pedro |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 5 |
Pages of publication | 1546 |
a | 14.05 ± 0.003 Å |
b | 14.112 ± 0.003 Å |
c | 30.307 ± 0.006 Å |
α | 90.02 ± 0.03° |
β | 102.82 ± 0.03° |
γ | 108.58 ± 0.03° |
Cell volume | 5537 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0702 |
Residual factor for significantly intense reflections | 0.0638 |
Weighted residual factors for significantly intense reflections | 0.142 |
Weighted residual factors for all reflections included in the refinement | 0.1462 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
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