Information card for entry 7006271

Structure parameters

• Formula: C117.75 H112.5 Cl3.5 Cu6 P10 S2 Se8
• Calculated formula: C117 H111 Cl2 Cu6 P10 S2 Se8
• Title of publication: Novel P-Se anions and their copper complexes.
• Authors of publication: Shi, Weifeng; Shafaei-Fallah, Maryam; Rothenberger, Alexander
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 38
• Pages of publication: 4255 - 4257
• a: 18.2102 ± 0.0005 Å
• b: 25.3646 ± 0.0004 Å
• c: 27.6197 ± 0.0007 Å
• α: 90°
• β: 105.149 ± 0.002°
• γ: 90°
• Cell volume: 12314.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1525
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No