Information card for entry 7004149
| Formula |
C36 H94 N12 Ni3 O23 P6 |
| Calculated formula |
C36 H78 N12 Ni3 O23 P6 |
| Title of publication |
Coordination properties of cyclam (1,4,8,11-tetraazacyclotetradecane) endowed with two methylphosphonic acid pendant arms in the 1,4-positions |
| Authors of publication |
Havlíčková, Jana; Medová, Hana; Vitha, Tomáš; Kotek, Jan; Císařová, Ivana; Hermann, Petr |
| Journal of publication |
Dalton Transactions |
| Year of publication |
2008 |
| Journal issue |
39 |
| Pages of publication |
5378 - 5386 |
| a |
15.2662 ± 0.0001 Å |
| b |
15.2662 ± 0.0001 Å |
| c |
43.228 ± 0.0004 Å |
| α |
90° |
| β |
90° |
| γ |
120° |
| Cell volume |
8724.84 ± 0.11 Å3 |
| Cell temperature |
150 ± 1 K |
| Ambient diffraction temperature |
150 ± 1 K |
| Number of distinct elements |
6 |
| Space group number |
169 |
| Hermann-Mauguin space group symbol |
P 61 |
| Hall space group symbol |
P 61 |
| Residual factor for all reflections |
0.1076 |
| Residual factor for significantly intense reflections |
0.0627 |
| Weighted residual factors for significantly intense reflections |
0.1369 |
| Weighted residual factors for all reflections included in the refinement |
0.1663 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.052 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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