Information card for entry 4350594

Structure parameters

• Formula: C24 H20 I N P2 Se3
• Calculated formula: C24 H20 I N P2 Se3
• SMILES: [I-].[Se]1[Se][Se]P(=N[P+]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, spectroscopic, and structural investigation of the cyclic [N(PR2E)2]+ cations (E = Se, Te; R = iPr, Ph): the effect of anion and R-group exchange.
• Authors of publication: Konu, Jari; Chivers, Tristram; Tuononen, Heikki M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10678 - 10687
• a: 9.4244 ± 0.0019 Å
• b: 20.694 ± 0.004 Å
• c: 13.016 ± 0.003 Å
• α: 90°
• β: 95.07 ± 0.03°
• γ: 90°
• Cell volume: 2528.6 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No