Information card for entry 7007072

Structure parameters

• Formula: C12 H10 P2 Se6
• Calculated formula: C12 H10 P2 Se6
• SMILES: [Se]=P1([Se][Se]P(=[Se])([Se][Se]1)c1ccccc1)c1ccccc1
• Title of publication: Synthesis and characterisation of four- and six-membered P-Se heterocycles.
• Authors of publication: Parveen, Sahrah; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 21
• Pages of publication: 2586 - 2590
• a: 6.6219 ± 0.001 Å
• b: 9.9779 ± 0.0015 Å
• c: 28.146 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1859.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0913
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No