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Information card for entry 1100943
Preview
Coordinates | 1100943.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H19 Cl2 N5 O5 Ru |
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Calculated formula | C27 H19 Cl2 N5 O5 Ru |
SMILES | [Ru]123(Cl)([n]4c5c(oc4c4[n]1cccc4)cccc5)[n]1ccccc1c1[n]2c(ccc1)c1[n]3cccc1.Cl(=O)(=O)(=O)[O-] |
Title of publication | Effect of 2-(2-Pyridyl)azole-Based Ancillary Ligands (L1-4) on the Electrophilicity of the Nitrosyl Function in [RuII(trpy)(L1-4)(NO)]3+ [trpy = 2,2':6',2''-Terpyridine]. Synthesis, Structures, and Spectroscopic, Electrochemical, and Kinetic Aspects |
Authors of publication | Nripen Chanda; Debamita Paul; Sanjib Kar; Shaikh M. Mobin; Anindya Datta; Vedavati G. Puranik; K. Krishnamurthy Rao; Goutam Kumar Lahiri |
Journal of publication | Inorganic Chemistry |
Year of publication | 2005 |
Journal volume | 44 |
Pages of publication | 3499 - 3511 |
a | 11.191 ± 0.0011 Å |
b | 14.194 ± 0.001 Å |
c | 33.151 ± 0.001 Å |
α | 90 ± 0.004° |
β | 90 ± 0.006° |
γ | 90 ± 0.007° |
Cell volume | 5265.9 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P c a b |
Hall space group symbol | -P 2bc 2ac |
Residual factor for all reflections | 0.0475 |
Residual factor for significantly intense reflections | 0.0347 |
Weighted residual factors for significantly intense reflections | 0.0814 |
Weighted residual factors for all reflections included in the refinement | 0.0896 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 0.7093 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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