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Information card for entry 4075624
Preview
Coordinates | 4075624.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H70 B20 N2 P2 Ru2 Si2 |
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Calculated formula | C54 H70 B20 N2 P2 Ru2 Si2 |
SMILES | [BH]1234[BH]567[BH]89%10[BH]%11%12%13[C]379[Si](C)(C)[c]37[cH]9[cH]%14[cH]%15[cH]3[Ru]79%14%15([C]34%11[BH]471[BH]125[BH]268[BH]5%10%12[BH]%1334[BH]7125)([N]#[N][Ru]12345([C]678[BH]9%10%11[BH]%12%13%14[BH]%15%16%17[BH]%186([C]%11%14%16[Si](C)(C)[c]61[cH]2[cH]3[cH]4[cH]56)[BH]12%17[BH]3%13%15[BH]4%10%12[BH]579[BH]8%181[BH]2345)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
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 | 14.7615 ± 0.0008 Å |
b | 14.7615 ± 0.0008 Å |
c | 31.863 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6943 ± 0.8 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 7 |
Space group number | 96 |
Hermann-Mauguin space group symbol | P 43 21 2 |
Hall space group symbol | P 4nw 2abw |
Residual factor for all reflections | 0.0663 |
Residual factor for significantly intense reflections | 0.0463 |
Weighted residual factors for significantly intense reflections | 0.1353 |
Weighted residual factors for all reflections included in the refinement | 0.1534 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
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/4075624.html
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