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Information card for entry 4305165
Preview
Coordinates | 4305165.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H58 Cl5 N8 O17 |
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Calculated formula | C36 H58 Cl5 N8 O17 |
SMILES | N12CC[NH2+]Cc3cccc(c3)CNCC[NH+](CCNCc3cccc(C[NH2+]CC1)c3)CCNCc1cccc(C[NH2+]CC2)c1.O.O.O.O.O.[Cl-].[Cl-].[Cl-].O.O.O.O.O.O.O.O.O.O.[Cl-].[Cl-].O.O |
Title of publication | Spherical versus Linear Anion Encapsulation in the Cavity of a Protonated Azacryptand |
Authors of publication | I. Ravikumar; P. S. Lakshminarayanan; E. Suresh; Pradyut Ghosh |
Journal of publication | Inorganic Chemistry |
Year of publication | 2008 |
Journal volume | 47 |
Pages of publication | 7992 - 7999 |
a | 22.808 ± 0.0007 Å |
b | 22.808 ± 0.0007 Å |
c | 22.808 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 11864.8 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 198 |
Hermann-Mauguin space group symbol | P 21 3 |
Hall space group symbol | P 2ac 2ab 3 |
Residual factor for all reflections | 0.0896 |
Residual factor for significantly intense reflections | 0.0763 |
Weighted residual factors for significantly intense reflections | 0.1977 |
Weighted residual factors for all reflections included in the refinement | 0.2053 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
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/4305165.html
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Users of the data should acknowledge the original authors of the
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