Information card for entry 4350596

Structure parameters

• Formula: C12 H28 Cl N P2 Se
• Calculated formula: C12 H28 Cl N P2 Se
• SMILES: [Se]=P(N=P(Cl)(C(C)C)C(C)C)(C(C)C)C(C)C
• 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: 7.0377 ± 0.0014 Å
• b: 13.483 ± 0.003 Å
• c: 18.421 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1748 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No