Information card for entry 4342764

Structure parameters

• Formula: C15 H58 Mg N4 O24 P6
• Calculated formula: C15 H58 Mg N4 O24 P6
• SMILES: C[NH+](C)C.C[NH2+]C.O1P(=O)(O)C(C)(O)P(=O)(O[Mg]231(OP(=O)(C(C)(O)P(O2)(=O)O)O)OP(=O)(C(C)(O)P(=O)(O3)O)O)O.O.C[NH2+]C.C[NH2+]C.O.O
• Title of publication: Multidimensional (0D to 3D) Alkaline-Earth Metal Diphosphonates: Synthesis, Structural Diversity, and Luminescence Properties.
• Authors of publication: Senthil Raja, Duraisamy; Lin, Pin-Chun; Liu, Wei-Ren; Zhan, Jun-Xiang; Fu, Xin-Yi; Lin, Chia-Her
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 4268 - 4278
• a: 16.5827 ± 0.0006 Å
• b: 16.5827 ± 0.0006 Å
• c: 52.106 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12408.8 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1788
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No