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Information card for entry 4302145
Preview
Coordinates | 4302145.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H46 Gd K N21 O33 Re3 |
---|---|
Calculated formula | C30 H38 Gd K N21 O33 Re3 |
SMILES | [Gd]1234([O]=C5N6C7N8C(=O)N9C7N5CN5C(=[O]1)N1C7N(C(=O)N(C9)C57)CN5C7N(C1)C(=[O]2)N1C7N(C5=O)CN2C5N(C1)C(=[O]3)N1C5N(C2=O)CN2C3N(C1)C(=[O]4)N(C3N(C2=O)C8)C6)(ON(=O)=O)([OH2])([OH2])[OH2].[K+].[Re](=O)(=O)(=O)[O-].[Re](=O)(=O)(=O)[O-].[Re](=O)(=O)(=O)[O-].O.O.O.O.O |
Title of publication | Lanthanide Complexes with Cucurbit[n]urils (n= 5, 6, 7) and Perrhenate Ligands: New Examples of Encapsulation of Perrhenate Anions |
Authors of publication | Pierre Thuéry |
Journal of publication | Inorganic Chemistry |
Year of publication | 2009 |
Journal volume | 48 |
Pages of publication | 4497 - 4513 |
a | 20.0457 ± 0.0003 Å |
b | 14.1521 ± 0.0004 Å |
c | 17.7711 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5041.5 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0393 |
Residual factor for significantly intense reflections | 0.0366 |
Weighted residual factors for significantly intense reflections | 0.0911 |
Weighted residual factors for all reflections included in the refinement | 0.0925 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
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/4302145.html
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Users of the data should acknowledge the original authors of the
structural data.