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Information card for entry 1546057
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1546057.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H36 Br4 N4 Ru |
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Calculated formula | C36 H36 Br4 N4 Ru |
SMILES | [Ru](Br)(Br)(C#[N]c1c(cccc1C)C)(C#[N]c1c(cccc1C)C)(C#[N]c1c(cccc1C)C)C#[N]c1c(cccc1C)C.BrBr |
Title of publication | FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity |
Authors of publication | Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos |
Journal of publication | Faraday Discuss. |
Year of publication | 2017 |
a | 9.789 ± 0.0016 Å |
b | 11.319 ± 0.0006 Å |
c | 17.303 ± 0.0018 Å |
α | 89.362 ± 0.007° |
β | 76.377 ± 0.007° |
γ | 85.007 ± 0.009° |
Cell volume | 1856.1 ± 0.4 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1021 |
Residual factor for significantly intense reflections | 0.0764 |
Weighted residual factors for significantly intense reflections | 0.2382 |
Weighted residual factors for all reflections included in the refinement | 0.2593 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
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/1546057.html
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Users of the data should acknowledge the original authors of the
structural data.