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Information card for entry 4301541
Preview
Coordinates | 4301541.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H34 F12 N6 O4 P2 Ru |
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Calculated formula | C36 H34 F12 N6 O4 P2 Ru |
SMILES | [Ru]1234([n]5c(cc(cc5c5[n]2cccc5)C(=O)OCC)c2[n]1cccc2)[n]1ccccc1c1[n]3c(ccc1)c1[n]4cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=C(C)C.O |
Title of publication | Consequences of N,C,N'- and C,N,N'-Coordination Modes on Electronic and Photophysical Properties of Cyclometalated Aryl Ruthenium(II) Complexes |
Authors of publication | Sipke H. Wadman; Martin Lutz; Duncan M. Tooke; Anthony L. Spek; František Hartl; Remco W. A. Havenith; Gerard P. M. van Klink; Gerard van Koten |
Journal of publication | Inorganic Chemistry |
Year of publication | 2009 |
Journal volume | 48 |
Pages of publication | 1887 - 1900 |
a | 20.4716 ± 0.0006 Å |
b | 15.6606 ± 0.0005 Å |
c | 24.1341 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7737.3 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0629 |
Residual factor for significantly intense reflections | 0.0342 |
Weighted residual factors for significantly intense reflections | 0.0713 |
Weighted residual factors for all reflections included in the refinement | 0.086 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4301541.html
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