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Information card for entry 7104042
Preview
Coordinates | 7104042.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C70 H65 B F4 O1.5 P2 Ru |
---|---|
Calculated formula | C70 H65 B F4 O1.5 P2 Ru |
SMILES | [Ru]123456([P](c7ccccc7)(c7ccccc7)c7ccccc7)([P](c7ccccc7)(c7ccccc7)c7ccccc7)[c]78[cH]1[cH]2[cH]3[cH]4[c]58[C@H](C=C7)[C@@H]1[C@@H](C)CC2(C=C61)c1ccccc1c1c2cccc1.[B](F)(F)(F)[F-].C1CCOC1.C1CCOC1.[Ru]123456([P](c7ccccc7)(c7ccccc7)c7ccccc7)([P](c7ccccc7)(c7ccccc7)c7ccccc7)[c]78[cH]1[cH]2[cH]3[cH]4[c]58[C@@H](C=C7)[C@H]1[C@H](C)CC2(C=C61)c1ccccc1c1c2cccc1.[B](F)(F)(F)[F-].C1CCOC1.C1CCOC1 |
Title of publication | Unexpected coupling between an h5-indenyl ligand and alkenyl-vinylidene fragments: Synthesis of unprecedented (h6-indene)-ruthenium(II) metallacycles |
Authors of publication | Gimeno Jose; Victorio Cadierno; Salvador Conejero; Josefina Diez; M. Pilar Gamasa; Santiago Garcia-granda |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2003 |
a | 14.7232 ± 0.0005 Å |
b | 18.8325 ± 0.0007 Å |
c | 21.3164 ± 0.0009 Å |
α | 70.118 ± 0.002° |
β | 80.999 ± 0.002° |
γ | 83.676 ± 0.002° |
Cell volume | 5479.4 ± 0.4 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1066 |
Residual factor for significantly intense reflections | 0.0564 |
Weighted residual factors for significantly intense reflections | 0.1298 |
Weighted residual factors for all reflections included in the refinement | 0.1587 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.951 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
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/7104042.html
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