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Information card for entry 4114558
Preview
Coordinates | 4114558.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H51 B3 O6 Ru2 |
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Calculated formula | C32 H51 B3 O6 Ru2 |
SMILES | [Ru]123456789([c]%10([c]6([c]5([c]4([c]2%10C)C)C)C)C)[H][BH]2[H]1[Ru]1456([H]9[BH]([H]3)[C]38=[C]72B(OC3(OC)C(=C)C(=O)OC)CCC(=O)OC)[c]2([c]4([c]5([c]6([c]21C)C)C)C)C |
Title of publication | Ruthenacarboranes from the Reaction of nido-1,2-(Cp*RuH)2B3H7with HC\τbCCO2Me, Cp* = η5-C5Me5. Hydrometalation, Alkyne Incorporation, and Functional Group Modification via Cooperative Metal-Boron Interactions within a Metallaborane Cluster Framework |
Authors of publication | Hong Yan; Alicia M. Beatty; Thomas P. Fehlner |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2003 |
Journal volume | 125 |
Pages of publication | 16367 - 16382 |
a | 8.799 ± 0.0004 Å |
b | 13.0672 ± 0.0006 Å |
c | 15.6891 ± 0.0007 Å |
α | 101.362 ± 0.001° |
β | 100.442 ± 0.001° |
γ | 101.297 ± 0.001° |
Cell volume | 1688.34 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.025 |
Residual factor for significantly intense reflections | 0.0231 |
Weighted residual factors for significantly intense reflections | 0.0591 |
Weighted residual factors for all reflections included in the refinement | 0.0602 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178916 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/45. |
4114558.cif |
120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4114558.cif |
67886 | 2012-10-05 | cif/ Adding structures of 4114558 via cif-deposit CGI script. |
4114558.cif |
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Users of the data should acknowledge the original authors of the
structural data.