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Information card for entry 7039902
Preview
Coordinates | 7039902.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H45 F12 N11 P2 Ru |
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Calculated formula | C44 H45 F12 N11 P2 Ru |
SMILES | [Ru]1234([N]5=C6N(CCC5)CCCN6c5[n]4c(c4c6[n]1cccc6ccc4)ccc5)[N]1CCCN4C=1N(c1[n]2c(c2c5[n]3cccc5ccc2)ccc1)CCC4.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC |
Title of publication | Ruthenium bistridentate complexes with non-symmetrical hexahydro-pyrimidopyrimidine ligands: a structural and theoretical investigation of their optical and electrochemical properties. |
Authors of publication | Laramée-Milette, Baptiste; Hanan, Garry S. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 31 |
Pages of publication | 12507 - 12517 |
a | 22.1907 ± 0.0006 Å |
b | 8.1133 ± 0.0002 Å |
c | 24.9115 ± 0.0006 Å |
α | 90° |
β | 104.456 ± 0.002° |
γ | 90° |
Cell volume | 4343.06 ± 0.19 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
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 | 0.077 |
Residual factor for significantly intense reflections | 0.0621 |
Weighted residual factors for significantly intense reflections | 0.1554 |
Weighted residual factors for all reflections included in the refinement | 0.1659 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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