Information card for entry 4312079

Structure parameters

• Formula: C21 H21 I3 N3 P3
• Calculated formula: C21 H21 I3 N3 P3
• SMILES: P1(=NP(=NP(=N1)(CI)c1ccccc1)(CI)c1ccccc1)(CI)c1ccccc1
• 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: 8.9013 ± 0.0005 Å
• b: 11.3382 ± 0.0007 Å
• c: 14.5494 ± 0.001 Å
• α: 74.881 ± 0.005°
• β: 73.207 ± 0.005°
• γ: 71.698 ± 0.004°
• Cell volume: 1311.08 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No