Information card for entry 1513594

Structure parameters

• Formula: C100 H79 F12 N13 O19 Pd2 S4
• Calculated formula: C100 H79 F12 N13 O19 Pd2 S4
• Title of publication: Self-Assembled M2L4 Nanocapsules: Synthesis, Structure and Host-Guest Recognition Toward Square Planar Metal Complexes
• Authors of publication: Desmarets, Christophe; Ducarre, Thierry; Rager, Marie; Gontard, Geoffrey; Amouri, Hani
• Journal of publication: Materials
• Year of publication: 2014
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 287
• a: 12.647 ± 0.0007 Å
• b: 13.1997 ± 0.0007 Å
• c: 17.9323 ± 0.0009 Å
• α: 94.961 ± 0.002°
• β: 98.899 ± 0.002°
• γ: 106.745 ± 0.002°
• Cell volume: 2804.8 ± 0.3 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1674
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No