Information card for entry 7126281

Structure parameters

• Formula: C12 H40 Mg N2 O18 P4
• Calculated formula: C12 H40 Mg N2 O18 P4
• SMILES: P1(=O)(O[Mg]2(OP(C1(CCCCC[NH3+])O)(O)=O)(OP(=O)(C(P(=O)(O2)O)(CCCCC[NH3+])O)O)([OH2])[OH2])O.O.O
• Title of publication: Self-sacrificial MOFs for ultra-long controlled release of bisphosphonate anti-osteoporotic drugs.
• Authors of publication: Vassaki, Maria; Papathanasiou, Konstantinos E.; Hadjicharalambous, Chrystalleni; Chandrinou, Daphne; Turhanen, Petri; Choquesillo-Lazarte, Duane; Demadis, Konstantinos D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 38
• Pages of publication: 5166 - 5169
• a: 14.681 ± 0.0006 Å
• b: 13.1202 ± 0.0006 Å
• c: 13.8859 ± 0.0007 Å
• α: 90°
• β: 101.214 ± 0.002°
• γ: 90°
• Cell volume: 2623.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0521
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No