Information card for entry 4079000
| Formula |
C64 H96 N4 Ni O4 P4 |
| Calculated formula |
C64 H96 N4 Ni O4 P4 |
| SMILES |
C1N(C[P]2(CN(C[P]1(C1CCCCC1)[Ni]12[P]2(CN(C[P]1(CN(C2)Cc1ccc(cc1)OC)C1CCCCC1)Cc1ccc(cc1)OC)C1CCCCC1)Cc1ccc(cc1)OC)C1CCCCC1)Cc1ccc(cc1)OC |
| 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 |
11.4203 ± 0.0003 Å |
| b |
15.1266 ± 0.0004 Å |
| c |
18.8794 ± 0.0005 Å |
| α |
78.036 ± 0.001° |
| β |
76.063 ± 0.001° |
| γ |
87.36 ± 0.001° |
| Cell volume |
3096.63 ± 0.14 Å3 |
| Cell temperature |
173 ± 2 K |
| Ambient diffraction temperature |
173 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0967 |
| Residual factor for significantly intense reflections |
0.0507 |
| Weighted residual factors for significantly intense reflections |
0.1173 |
| Weighted residual factors for all reflections included in the refinement |
0.1371 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.017 |
| Diffraction radiation wavelength |
0.71073 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/4079000.html
