Information card for entry 7006272

Structure parameters

• Formula: C97.25 H82.5 Cl2.5 Cu4 P8 Se6
• Calculated formula: C96 H80 Cu4 P8 Se6
• 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: 14.91 ± 0.002 Å
• b: 18.677 ± 0.0016 Å
• c: 19.789 ± 0.003 Å
• α: 90°
• β: 109.92 ± 0.011°
• γ: 90°
• Cell volume: 5181 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.2133
• Residual factor for significantly intense reflections: 0.0955
• Weighted residual factors for significantly intense reflections: 0.1812
• Weighted residual factors for all reflections included in the refinement: 0.2021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No