Information card for entry 7121370

Structure parameters

• Formula: C64 H112 N8 O2 P4 S4
• Calculated formula: C64 H112 N8 O2 P4 S4
• Title of publication: Orthogonality in main group compounds: a direct one-step synthesis of air- and moisture-stable cyclophosphazanes by mechanochemistry.
• Authors of publication: Sim, Ying; Tan, Davin; Ganguly, Rakesh; Li, Yongxin; García, Felipe
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 50
• Pages of publication: 6800 - 6803
• a: 24.3568 ± 0.0006 Å
• b: 9.8974 ± 0.0002 Å
• c: 28.2283 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6805 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No