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Information card for entry 4075621
Preview
Coordinates | 4075621.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H54 B10 O0.5 P2 Ru |
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Calculated formula | C48 H50 B10 O0.5 P2 Ru |
SMILES | [RuH]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[c]56C([C]789%10[C]%11%12%13([c]15[cH]2[cH]3[cH]46)[BH]127[BH]348[BH]569[BH]7%10%11[BH]896[BH]645[BH]423[BH]2%121[BH]%1378[BH]9642)(C)C.c1ccco1 |
Title of publication | Reaction Scope and Mechanism of Sterically Induced Ruthenium-Mediated Intramolecular Coupling ofo-Carboranyl with Cyclopentadienyl. Synthesis and Structure of Ruthenium Complexes Incorporating Doubly Linked Cyclopentadienyl−Carboranyl Ligands |
Authors of publication | Sun, Yi; Chan, Hoi-Shan; Xie, Zuowei |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 17 |
Pages of publication | 4188 |
a | 13.317 ± 0.003 Å |
b | 16.389 ± 0.003 Å |
c | 23.527 ± 0.005 Å |
α | 93.51 ± 0.03° |
β | 100.28 ± 0.03° |
γ | 109.95 ± 0.03° |
Cell volume | 4708 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0523 |
Residual factor for significantly intense reflections | 0.0475 |
Weighted residual factors for significantly intense reflections | 0.1308 |
Weighted residual factors for all reflections included in the refinement | 0.1358 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/4075621.html
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Users of the data should acknowledge the original authors of the
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