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Information card for entry 4301643
Preview
Coordinates | 4301643.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C6 H21 N7 O9 |
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Calculated formula | C6 H21 N7 O9 |
SMILES | N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(CC[NH3+])(CC[NH3+])CC[NH3+] |
Title of publication | Anion Binding by Protonated Forms of the Tripodal Ligand Tren |
Authors of publication | Carla Bazzicalupi; Andrea Bencini; Antonio Bianchi; Andrea Danesi; Claudia Giorgi; Barbara Valtancoli |
Journal of publication | Inorganic Chemistry |
Year of publication | 2009 |
Journal volume | 48 |
Pages of publication | 2391 - 2398 |
a | 8.778 ± 0.003 Å |
b | 12.089 ± 0.009 Å |
c | 14.546 ± 0.009 Å |
α | 90° |
β | 90.78 ± 0.04° |
γ | 90° |
Cell volume | 1543.4 ± 1.6 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 4 |
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 | 0.0848 |
Residual factor for significantly intense reflections | 0.0622 |
Weighted residual factors for significantly intense reflections | 0.1745 |
Weighted residual factors for all reflections included in the refinement | 0.1974 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
Diffraction radiation wavelength | 0.71069 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/4301643.html
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Users of the data should acknowledge the original authors of the
structural data.