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Information card for entry 2013229
Preview
Coordinates | 2013229.cif |
---|---|
Structure factors | 2013229.hkl |
Original IUCr paper | HTML |
Chemical name | (pyridine-κN)(5,10,15,20-tetra-p-tolylporphyrinato-κ^4^N)[bis(3- trifluoromethylphenyl)carbenyl-κC]ruthenium(II) |
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Formula | C68 H49 F6 N5 Ru |
Calculated formula | C68 H49 F6 N5 Ru |
SMILES | [Ru]123([N]4C5=C(C6=[N]3C(=C(C3=[N]2C(=C(C2=[N]1C(=C(C=4C=C5)c1ccc(cc1)C)C=C2)c1ccc(cc1)C)C=C3)c1ccc(C=C1)C)C=C6)c1ccc(cc1)C)([n]1ccccc1)=C(c1cc(ccc1)C(F)(F)F)c1cc(ccc1)C(F)(F)F |
Title of publication | The <i>trans</i> influence of the pyridine ligand on ruthenium(II)‒porphyrin‒carbene complexes |
Authors of publication | Harada, Tomoko; Wada, Satoko; Yuge, Hidetaka; Miyamoto, Takeshi Ken |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2003 |
Journal volume | 59 |
Journal issue | 2 |
Pages of publication | m37 - m39 |
a | 12.4428 ± 0.0017 Å |
b | 17.3768 ± 0.0019 Å |
c | 25.1794 ± 0.0017 Å |
α | 90° |
β | 99.436 ± 0.009° |
γ | 90° |
Cell volume | 5370.5 ± 1 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.071 |
Residual factor for significantly intense reflections | 0.038 |
Weighted residual factors for significantly intense reflections | 0.096 |
Weighted residual factors for all reflections included in the refinement | 0.108 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2013229.html
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