Information card for entry 7101822

Structure parameters

• Formula: C29 H21 Cl3 P2 Se6
• Calculated formula: C29 H21 Cl3 P2 Se6
• SMILES: [Se]=P1([Se][Se]C(=C1c1ccccc1)C1=C(P(=[Se])([Se][Se]1)c1ccccc1)c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl
• Title of publication: Unexpected four- and eight-membered organo P-Se heterocycles.
• Authors of publication: Hua, Guoxiong; Li, Yang; Slawin, Alexandra M Z; Woollins, J Derek
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 14
• Pages of publication: 1465 - 1467
• a: 13.3239 ± 0.0015 Å
• b: 13.9985 ± 0.0016 Å
• c: 17.2947 ± 0.0019 Å
• α: 90°
• β: 95.309 ± 0.003°
• γ: 90°
• Cell volume: 3211.9 ± 0.6 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• 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: 0.1188
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No