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Information card for entry 4105602
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Coordinates | 4105602.cif |
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Original paper (by DOI) | HTML |
Common name | N,N'-4,4'-bipiperidinebis(methylenephosphonic acid) |
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Chemical name | 4,4'-bipiperidine-1,1'-diylbis(methylene)diphosphonic acid |
Formula | C12 H26 N2 O10 P2 |
Calculated formula | C12 H26 N2 O10 P2 |
SMILES | O=P([O-])(C[NH+]1CCC(C2CC[NH+](CP(=O)([O-])O)CC2)CC1)O.O.O.O.O |
Title of publication | Extending the Pore Size of Crystalline Metal Phosphonates toward the Mesoporous Regime by Isoreticular Synthesis |
Authors of publication | Michael T. Wharmby; John P. S. Mowat; Stephen P. Thompson; Paul A. Wright |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 1266 - 1269 |
a | 10.24 ± 0.003 Å |
b | 6.0262 ± 0.0016 Å |
c | 15.832 ± 0.005 Å |
α | 90 ± 0° |
β | 95.866 ± 0.004° |
γ | 90 ± 0° |
Cell volume | 971.8 ± 0.5 Å3 |
Cell temperature | 93.15 K |
Ambient diffraction temperature | 93.15 K |
Number of distinct elements | 5 |
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 | 0.0553 |
Residual factor for significantly intense reflections | 0.0511 |
Weighted residual factors for significantly intense reflections | 0.1527 |
Weighted residual factors for all reflections included in the refinement | 0.156 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
Diffraction radiation wavelength | 0.7107 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/4105602.html
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