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Information card for entry 4079004
Preview
Coordinates | 4079004.cif |
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Original paper (by DOI) | HTML |
Formula | C68 H101.1 B2 F8 N6 Ni O4 P4 |
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Calculated formula | C68 H101.1 B2 F8 N6 Ni O4 P4 |
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 | 17.7299 ± 0.0008 Å |
b | 26.2321 ± 0.0011 Å |
c | 30.9424 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 14391.1 ± 1.1 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 8 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1574 |
Residual factor for significantly intense reflections | 0.0579 |
Weighted residual factors for significantly intense reflections | 0.0893 |
Weighted residual factors for all reflections included in the refinement | 0.1149 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4079004.html
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