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Information card for entry 7116225
Preview
Coordinates | 7116225.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1,3-bis(4-ethynyl-N-methylpyridinium)benzene bis(perrhenate) |
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Formula | C22 H18 N2 O8 Re2 |
Calculated formula | C22 H18 N2 O8 Re2 |
SMILES | [n+]1(ccc(cc1)C#Cc1cccc(c1)C#Cc1cc[n+](cc1)C)C.[Re](=O)(=O)(=O)[O-].[Re](=O)(=O)(=O)[O-] |
Title of publication | Solution and solid-phase halogen and C-H hydrogen bonding to perrhenate. |
Authors of publication | Massena, Casey J.; Riel, Asia Marie S.; Neuhaus, George F.; Decato, Daniel A.; Berryman, Orion B. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2015 |
Journal volume | 51 |
Journal issue | 8 |
Pages of publication | 1417 - 1420 |
a | 15.5756 ± 0.001 Å |
b | 7.6106 ± 0.0005 Å |
c | 19.6042 ± 0.0013 Å |
α | 90° |
β | 100.084 ± 0.002° |
γ | 90° |
Cell volume | 2288 ± 0.3 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
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 | 0.0473 |
Residual factor for significantly intense reflections | 0.0286 |
Weighted residual factors for significantly intense reflections | 0.0563 |
Weighted residual factors for all reflections included in the refinement | 0.0604 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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