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Information card for entry 3500002
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 3500002.cif |
---|
Formula | C10 H18 Mg N8 O8 |
---|---|
Calculated formula | C10 H18 Mg N8 O8 |
SMILES | [OH2][Mg]([OH2])([OH2])([OH2])[OH2].[O-]c1ccn2ncnc2n1 |
Authors of publication | Mohammad Abul Haj; Miguel Quirós; Juan M. Salas |
Journal of publication | Personal communication to COD |
Year of publication | 2011 |
a | 11.8698 ± 0.0012 Å |
b | 5.6782 ± 0.001 Å |
c | 12.9832 ± 0.0013 Å |
α | 90° |
β | 107.681 ± 0.011° |
γ | 90° |
Cell volume | 833.7 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.2879 |
Residual factor for significantly intense reflections | 0.1289 |
Weighted residual factors for significantly intense reflections | 0.2397 |
Weighted residual factors for all reflections included in the refinement | 0.3358 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
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/3500002.html
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Users of the data should acknowledge the original authors of the
structural data.