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Information card for entry 4323535
Preview
Coordinates | 4323535.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H24 B F3 I3 N8 O2 Re |
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Calculated formula | C16 H24 B F3 I3 N8 O2 Re |
SMILES | [Re](=O)(O[B](F)(F)F)([n]1cn(cc1)C)([n]1cn(cc1)C)([n]1cn(cc1)C)[n]1cn(cc1)C.[I-](I)I |
Title of publication | Oxo Ligand Reactivity in the [ReO2L4]+ Complex of 1-Methylimidazole. Preparation and Crystal Structures of Salts Containing the ReOL43+ Core and Apical CH3O-, BF3O2-, and (CH3O)2PO2- Groups |
Authors of publication | Suzanne Bélanger; André L. Beauchamp |
Journal of publication | Inorganic Chemistry |
Year of publication | 1997 |
Journal volume | 36 |
Pages of publication | 3640 - 3647 |
a | 13.373 ± 0.004 Å |
b | 13.237 ± 0.003 Å |
c | 16.689 ± 0.006 Å |
α | 90 ± 0.02° |
β | 103.67 ± 0.03° |
γ | 90 ± 0.02° |
Cell volume | 2870.6 ± 1.5 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0759 |
Residual factor for significantly intense reflections | 0.0445 |
Weighted residual factors for all reflections | 0.1007 |
Weighted residual factors for significantly intense reflections | 0.0939 |
Goodness-of-fit parameter for all reflections | 0.877 |
Goodness-of-fit parameter for significantly intense reflections | 1.039 |
Diffraction radiation wavelength | 1.54056 Å |
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/4323535.html
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