Information card for entry 7007208

Structure parameters

• Formula: C24 H34 Na4 O3 P2 Se6
• Calculated formula: C24 H34 Na4 O3 P2 Se6
• SMILES: c1(ccccc1)P([Se-])(=[Se])[Se-].[Na+].O1CCCC1.[Na+].O1CCCC1
• Title of publication: Polymeric arrangements of P-Se anions and a first insight into their reactivity.
• Authors of publication: Shi, Weifeng; Shafaei-Fallah, Maryam; Anson, Christopher E.; Rothenberger, Alexander
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 24
• Pages of publication: 2979 - 2983
• a: 9.7746 ± 0.0008 Å
• b: 11.4669 ± 0.001 Å
• c: 16.7949 ± 0.0014 Å
• α: 71.905 ± 0.006°
• β: 78.473 ± 0.006°
• γ: 85.51 ± 0.007°
• Cell volume: 1753 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No