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Information card for entry 4337356
Preview
Coordinates | 4337356.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H64 Cl F12 N9 O7 P2 Ru |
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Calculated formula | C34 H36 Cl F12 N9 O P2 Ru |
SMILES | [Ru]123([n]4c(cccc4)c4[n]1cccc4)([n]1c(cccc1)c1[n]2cccc1)[n]1cnc(Cl)cc1N1CCCN2CCC[N]3=C12.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=C(C)C |
Title of publication | Red-Emitting [Ru(bpy)2(N-N)](2+) Photosensitizers: Emission from a Ruthenium(II) to 2,2'-Bipyridine (3)MLCT State in the Presence of Neutral Ancillary "Super Donor" Ligands. |
Authors of publication | Pal, Amlan K.; Nag, Samik; Ferreira, Janaina G.; Brochery, Victor; La Ganga, Giuseppina; Santoro, Antonio; Serroni, Scolastica; Campagna, Sebastiano; Hanan, Garry S. |
Journal of publication | Inorganic chemistry |
Year of publication | 2014 |
Journal volume | 53 |
Journal issue | 3 |
Pages of publication | 1679 - 1689 |
a | 12.0837 ± 0.0005 Å |
b | 12.3164 ± 0.0004 Å |
c | 14.5069 ± 0.0005 Å |
α | 88.11 ± 0.002° |
β | 81.464 ± 0.002° |
γ | 82.341 ± 0.002° |
Cell volume | 2115.87 ± 0.13 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0623 |
Residual factor for significantly intense reflections | 0.0611 |
Weighted residual factors for significantly intense reflections | 0.1853 |
Weighted residual factors for all reflections included in the refinement | 0.1867 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4337356.html
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structural data.