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Information card for entry 4131671
Preview
Coordinates | 4131671.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H54 N8 O7 Rh2 S2 |
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Calculated formula | C52 H54 N8 O7 Rh2 S2 |
SMILES | c12ccc3ccc[n]4c3[n]2[Rh]235([n]6cccc7ccc8C(=O)O[Rh]45([n]8c67)(N(C=[N]2c2ccc(cc2)C)c2ccc(cc2)C)N(C=[N]3c2ccc(cc2)C)c2ccc(cc2)C)OC1=O.S(=O)(C)C.S(=O)(C)C.O |
Title of publication | New Rh<sub>2</sub>(II,II) Complexes for Solar Energy Applications: Panchromatic Absorption and Excited-State Reactivity. |
Authors of publication | Whittemore, Tyler J.; Sayre, Hannah J.; Xue, Congcong; White, Travis A.; Gallucci, Judith C.; Turro, Claudia |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 41 |
Pages of publication | 14724 - 14732 |
a | 10.5764 ± 0.0005 Å |
b | 36.38 ± 0.0019 Å |
c | 14.01 ± 0.0007 Å |
α | 90° |
β | 107.446 ± 0.002° |
γ | 90° |
Cell volume | 5142.7 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0418 |
Residual factor for significantly intense reflections | 0.0322 |
Weighted residual factors for significantly intense reflections | 0.0847 |
Weighted residual factors for all reflections included in the refinement | 0.0888 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4131671.html
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Users of the data should acknowledge the original authors of the
structural data.