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Information card for entry 4071639
Preview
Coordinates | 4071639.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H24 F6 N4 O7 Ru S2 |
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Calculated formula | C24 H24 F6 N4 O7 Ru S2 |
SMILES | [Ru]12345([n]6c(N7C=5Nc5ccccc75)cccc6)(N=O)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F |
Title of publication | Isolation and Interconversion of ProticN-Heterocyclic Carbene and Imidazolyl Complexes: Application to Catalytic Dehydrative Condensation ofN-(2-Pyridyl)benzimidazole and Allyl Alcohol |
Authors of publication | Araki, Kenjirou; Kuwata, Shigeki; Ikariya, Takao |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 10 |
Pages of publication | 2176 |
a | 9.7732 ± 0.001 Å |
b | 25.207 ± 0.003 Å |
c | 11.618 ± 0.002 Å |
α | 90° |
β | 94.443 ± 0.008° |
γ | 90° |
Cell volume | 2853.5 ± 0.7 Å3 |
Cell temperature | 193.1 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for significantly intense reflections | 0.056 |
Weighted residual factors for all reflections included in the refinement | 0.161 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4071639.cif |
120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071639.cif |
47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071639.cif |
43958 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071637, 4071638, 4071639, 4071640, 4071641 via cif-deposit CGI script. |
4071639.cif |
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Users of the data should acknowledge the original authors of the
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