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Information card for entry 7011187
Preview
Coordinates | 7011187.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H18 N8 O2 |
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Calculated formula | C22 H18 N8 O2 |
SMILES | c1(c2nc(c3cc(c(c4[nH]nc(c5ccccn5)n4)cc3OC)OC)[nH]n2)ncccc1 |
Title of publication | Synthesis, spectroscopic and electrochemical properties of mononuclear and dinuclear bis(bipy)ruthenium(II) complexes containing dimethoxyphenyl(pyridin-2-yl)-1,2,4-triazole ligands |
Authors of publication | Paolo Passaniti; Wesley R. Browne; Fiona C. Lynch; Donal Hughes; Mark Nieuwenhuyzen; Paraic James; Mauro Maestri; Johannes G. Vos |
Journal of publication | J. Chem. Soc., Dalton Trans. |
Year of publication | 2002 |
Journal issue | 8 |
Pages of publication | 1740 - 1746 |
a | 9.235 ± 0.003 Å |
b | 11.636 ± 0.003 Å |
c | 10.096 ± 0.003 Å |
α | 90° |
β | 106.44 ± 0.02° |
γ | 90° |
Cell volume | 1040.5 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1399 |
Residual factor for significantly intense reflections | 0.0609 |
Weighted residual factors for significantly intense reflections | 0.0992 |
Weighted residual factors for all reflections included in the refinement | 0.1235 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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