Information card for entry 4516261

Structure parameters

• Common name: MA-1-H2O
• Formula: C3 H6 N6
• Calculated formula: C3 H6 N6
• SMILES: n1c(nc(nc1N)N)N
• Title of publication: Solvent Dependent Structures of Melamine: Porous or Nonporous?
• Authors of publication: Li, Peng; Arman, Hadi D.; Wang, Hailong; Weng, Linhong; Alfooty, Khalid; Angawi, Rehab F.; Chen, Banglin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 1871
• a: 7.2789 ± 0.0003 Å
• b: 7.4799 ± 0.0003 Å
• c: 10.3316 ± 0.0004 Å
• α: 90°
• β: 108.495 ± 0.004°
• γ: 90°
• Cell volume: 533.46 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.1802
• Weighted residual factors for all reflections included in the refinement: 0.1818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.769
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No