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Information card for entry 4508109
Preview
Coordinates | 4508109.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H20 Br N6 O4 Re |
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Calculated formula | C25 H20 Br N6 O4 Re |
SMILES | [Re]1(Br)([n]2ccc(cc2c2[n]1ccc(c2)Cn1nnc(c1)CNC(=O)c1ccccc1)C)(C#[O])(C#[O])C#[O] |
Title of publication | Photocatalytic Conversion of CO2to CO Using Rhenium Bipyridine Platforms Containing Ancillary Phenyl or BODIPY Moieties |
Authors of publication | Andrade, Gabriel A.; Pistner, Allen J.; Yap, Glenn P. A.; Lutterman, Daniel A.; Rosenthal, Joel |
Journal of publication | ACS Catalysis |
Year of publication | 2013 |
Journal volume | 3 |
Journal issue | 8 |
Pages of publication | 1685 |
a | 11.6786 ± 0.0009 Å |
b | 19.4125 ± 0.0016 Å |
c | 11.7398 ± 0.0009 Å |
α | 90° |
β | 104.932 ± 0.001° |
γ | 90° |
Cell volume | 2571.7 ± 0.4 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 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 | 0.0647 |
Residual factor for significantly intense reflections | 0.0495 |
Weighted residual factors for significantly intense reflections | 0.136 |
Weighted residual factors for all reflections included in the refinement | 0.1488 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
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/4508109.html
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