Information card for entry 4312077

Structure parameters

• Formula: C21 H21 Cl3 N3 P3
• Calculated formula: C21 H21 Cl3 N3 P3
• Title of publication: Synthesis and Structure of Nongeminally Substituted Cyclic Phosphazenes with Haloalkyl and Thioester Functional Groups
• Authors of publication: June-Ho Jung; Srinagesh K. Potluri; Hongming Zhang; Patty Wisian-Neilson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7784 - 7791
• a: 12.278 ± 0.001 Å
• b: 9.287 ± 0.001 Å
• c: 21.823 ± 0.002 Å
• α: 90°
• β: 104.413 ± 0.006°
• γ: 90°
• Cell volume: 2410.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.106
• 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: Yes
• Has Fobs: No