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Information card for entry 7214330
Preview
Coordinates | 7214330.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H84 Cl4 Mg2 N24 O36 |
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Calculated formula | C36 H36 Cl4 Mg2 N24 O35.6636 |
Title of publication | Unexpected crystallization of the metastable tubular coordination polymer of cucurbit[6]uril with magnesium ions which spontaneously transforms into a discrete coordination complex |
Authors of publication | Danylyuk, Oksana; Fedin, Vladimir P. |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 18 |
Pages of publication | 3699 |
a | 10.4811 ± 0.0004 Å |
b | 14.5008 ± 0.0005 Å |
c | 21.9334 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3333.5 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 59 |
Hermann-Mauguin space group symbol | P m m n :2 |
Hall space group symbol | -P 2ab 2a |
Residual factor for all reflections | 0.1037 |
Residual factor for significantly intense reflections | 0.0878 |
Weighted residual factors for significantly intense reflections | 0.2471 |
Weighted residual factors for all reflections included in the refinement | 0.2644 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
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/7214330.html
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