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Information card for entry 4106287
Preview
Coordinates | 4106287.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8 H18 Cl Li N2 O4 |
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Calculated formula | C8 H18 Cl Li N2 O4 |
SMILES | C(C(=O)[O-])[NH+](C)C.[Cl-].[Li+].[O-]C(=O)C[NH+](C)C |
Title of publication | 2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials |
Authors of publication | Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 9224 - 9227 |
a | 14.0427 ± 0.0005 Å |
b | 14.6533 ± 0.0005 Å |
c | 12.4822 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2568.49 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 43 |
Hermann-Mauguin space group symbol | F d d 2 |
Hall space group symbol | F 2 -2d |
Residual factor for all reflections | 0.0342 |
Residual factor for significantly intense reflections | 0.0312 |
Weighted residual factors for significantly intense reflections | 0.0726 |
Weighted residual factors for all reflections included in the refinement | 0.0738 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4106287.html
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