Information card for entry 7121368

Structure parameters

• Formula: C32 H52 Cl N7 O P2 S2
• Calculated formula: C32 H52 Cl N7 O P2 S2
• 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: 9.1079 ± 0.0007 Å
• b: 11.4296 ± 0.0008 Å
• c: 19.8336 ± 0.0015 Å
• α: 75.8067 ± 0.0018°
• β: 87.554 ± 0.002°
• γ: 72.0615 ± 0.0019°
• Cell volume: 1903.1 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.0691
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No