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Information card for entry 4105602
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| Coordinates | 4105602.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | N,N'-4,4'-bipiperidinebis(methylenephosphonic acid) |
|---|---|
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178802 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/56. |
4105602.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4105602.cif |
| 52361 | 2012-04-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4105602 via cif-deposit CGI script. |
4105602.cif |
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Users of the data should acknowledge the original authors of the
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