Information card for entry 2105870

Structure parameters

• Formula: C84 H88 Mg3 N4 O16 P6
• Calculated formula: C84 H88 Mg3 N4 O16 P6
• SMILES: [Mg]1([O]=CN(C)C)([O]=CN(C)C)[O]=P(c2ccccc2)(c2ccccc2)O[Mg]2([O]=P(O1)(c1ccccc1)c1ccccc1)[O]=P(c1ccccc1)(c1ccccc1)O[Mg]1([O]=P(O2)(c2ccccc2)c2ccccc2)[O]=P(c2ccccc2)(c2ccccc2)O[Mg]2([O]=CN(C)C)([O]=CN(C)C)([O]=P(O1)(c1ccccc1)c1ccccc1)[O]=P(c1ccccc1)(c1ccccc1)O[Mg]1([O]=P(O2)(c2ccccc2)c2ccccc2)[O]=P(c2ccccc2)(c2ccccc2)O[Mg]([O]=P(O1)(c1ccccc1)c1ccccc1)(OP(c1ccccc1)(c1ccccc1)=O)OP(c1ccccc1)(c1ccccc1)=O.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C
• Title of publication: Linear alkaline earth metal phosphinate coordination polymers: synthesis and structural characterization
• Authors of publication: Rood, Jeffrey A.; Huttenstine, Ashley L.; Schmidt, Zachery A.; White, Michael R.; Oliver, Allen G.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: 602 - 607
• a: 12.7538 ± 0.0005 Å
• b: 22.3294 ± 0.0009 Å
• c: 15.0157 ± 0.0006 Å
• α: 90°
• β: 103.175 ± 0.002°
• γ: 90°
• Cell volume: 4163.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0485
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes