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Information card for entry 7208406
Preview
Coordinates | 7208406.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H26 Mo2 N3 Na O17 |
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Calculated formula | C14 H26 Mo2 N3 Na O17 |
SMILES | C1(=O)C[N]23CC(=O)O[Mo]453([Mo]36([N](CC2)(CC(=O)O6)CC[N]3(CC(=O)O)CC(=O)O)(O4)(O5)=O)(=O)O1.[Na+].O.O.O |
Title of publication | Countercation-directed chiral resolution of [Mo2O4(H2dtpa)]−, syntheses, crystal structures and CD spectra of (λ)-[NEt4][Mo2O4(H2dtpa)] and (δ)-Na[Mo2O4(H2dtpa)] |
Authors of publication | Li, Fengcai; Xu, Li |
Journal of publication | CrystEngComm |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 16 |
Pages of publication | 5174 |
a | 7.529 ± 0.003 Å |
b | 7.752 ± 0.003 Å |
c | 10.903 ± 0.003 Å |
α | 71.991 ± 0.012° |
β | 76.257 ± 0.015° |
γ | 83.426 ± 0.014° |
Cell volume | 587.3 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0223 |
Residual factor for significantly intense reflections | 0.0206 |
Weighted residual factors for significantly intense reflections | 0.0504 |
Weighted residual factors for all reflections included in the refinement | 0.072 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
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/7208406.html
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