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Information card for entry 7225856
Preview
Coordinates | 7225856.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H36 N6 O7 |
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Calculated formula | C14 H36 N6 O7 |
SMILES | C(=O)(N1CCN(C(=O)[O-])CC1)[O-].C1CNCC[NH2+]1.O.O.C1CNCC[NH2+]1.O |
Title of publication | Crystalline products of CO2capture by piperazine aqueous solutions |
Authors of publication | Fonari, Marina S.; Antal, Sofia; Castañeda, Raúl; Ordonez, Carlos; Timofeeva, Tatiana V. |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 33 |
Pages of publication | 6282 |
a | 30.854 ± 0.005 Å |
b | 7.3079 ± 0.0013 Å |
c | 9.1538 ± 0.0016 Å |
α | 90° |
β | 103.466 ± 0.003° |
γ | 90° |
Cell volume | 2007.2 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0339 |
Residual factor for significantly intense reflections | 0.0312 |
Weighted residual factors for significantly intense reflections | 0.0822 |
Weighted residual factors for all reflections included in the refinement | 0.0839 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7225856.html
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Users of the data should acknowledge the original authors of the
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