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Information card for entry 4069063
Preview
Coordinates | 4069063.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C74 H74 Fe2 N8 O1.5 Ru2 |
---|---|
Calculated formula | C74 H74 Fe2 N8 O1.5 Ru2 |
SMILES | [Ru]1234([Ru]([N](C)=C(N1C)c1ccccc1)([N](C)=C(N2C)c1ccccc1)(N(C)C(=[N]3C)c1ccccc1)(N(C)C(=[N]4C)c1ccccc1)C#CC#CC#C[c]12[cH]3[Fe]4567891([cH]1[cH]4[cH]5[cH]6[cH]71)[cH]3[cH]8[cH]29)C#CC#CC#C[c]12[Fe]3456789([cH]%10[cH]6[cH]5[cH]4[cH]3%10)[cH]1[cH]7[cH]8[cH]29.O1CCCC1.O1CCCC1 |
Title of publication | Diruthenium Complexes of Axial Ferrocenyl−Polyynyl Ligands: The Cases of C6Fc and C8Fc |
Authors of publication | Xi, Bin; Xu, Guo-Lin; Fanwick, Phillip E.; Ren, Tong |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 7 |
Pages of publication | 2338 |
a | 17.2957 ± 0.0013 Å |
b | 19.5103 ± 0.0014 Å |
c | 21.763 ± 0.003 Å |
α | 88.027 ± 0.007° |
β | 84.001 ± 0.004° |
γ | 85.14 ± 0.004° |
Cell volume | 7274.9 ± 1.3 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 | 0.099 |
Residual factor for significantly intense reflections | 0.059 |
Weighted residual factors for significantly intense reflections | 0.137 |
Weighted residual factors for all reflections included in the refinement | 0.155 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MO-Kα |
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/4069063.html
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Users of the data should acknowledge the original authors of the
structural data.