Information card for entry 3500002

Structure parameters

• 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 ų
• 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