Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 2015313
2015312 << 2015313 >> 2015314Preview
|
Coordinates |
2015313.cif |
|
Structure factors |
2015313.hkl |
|
Original IUCr paper |
HTML |
Structure parameters
| Chemical name | dimethylammonium hydrogen diphenyldiphosphonate |
| Formula | - C28 H38 N2 O10 P4 - |
| Calculated formula | - C14 H19 N O5 P2 - |
| Title of publication | Symmetric hydrogen bonding in dimethylammonium hydrogen diphenyldiphosphonate |
| Authors of publication | Courtney, Brandy H.; Juma, Booker W. O.; Watkins, Steven F.; Fronczek, Frank R.; Stanley, George G. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 5 |
| Pages of publication | o268 - o270 |
| a | 13.11 ± 0.003 Å |
| b | 13.11 ± 0.003 Å |
| c | 38.751 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6660 ± 3 Å3 |
| Cell temperature | 102 K |
| Ambient diffraction temperature | 102 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | I 41 c d |
| Hall symmetry space group | I 4bw -2c |
| Residual factor for all reflections | 0.074 |
| Residual factor for observed reflections | 0.043 |
| Weighted residual factors for the observed reflections | 0.086 |
| Weighted residual factors for all reflections included in the refinement | 0.095 |
| Goodness-of-fit parameter for observed reflections | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |