Information card for entry 4079001
| Formula |
C30 H44 N2 Ni0.5 P2 |
| Calculated formula |
C30 H44 N2 Ni0.5 P2 |
| Title of publication |
Incorporating Amino Acid Esters into Catalysts for Hydrogen Oxidation: Steric and Electronic Effects and the Role of Water as a Base |
| Authors of publication |
Lense, Sheri; Ho, Ming-Hsun; Chen, Shentan; Jain, Avijita; Raugei, Simone; Linehan, John C.; Roberts, John A. S.; Appel, Aaron M.; Shaw, Wendy |
| Journal of publication |
Organometallics |
| Year of publication |
2012 |
| Journal volume |
31 |
| Journal issue |
19 |
| Pages of publication |
6719 - 6731 |
| a |
11.0372 ± 0.0005 Å |
| b |
20.2569 ± 0.0009 Å |
| c |
25.6373 ± 0.0012 Å |
| α |
90° |
| β |
96.63 ± 0.002° |
| γ |
90° |
| Cell volume |
5693.6 ± 0.4 Å3 |
| Cell temperature |
173 ± 2 K |
| Ambient diffraction temperature |
173 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
15 |
| Hermann-Mauguin space group symbol |
C 1 2/c 1 |
| Hall space group symbol |
-C 2yc |
| Residual factor for all reflections |
0.0524 |
| Residual factor for significantly intense reflections |
0.0364 |
| Weighted residual factors for significantly intense reflections |
0.0887 |
| Weighted residual factors for all reflections included in the refinement |
0.0955 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.025 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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