Information card for entry 7102331

Structure parameters

• Formula: C16 Al Cu F36 O4 P8
• Calculated formula: C16 Al Cu F36 O4 P8
• SMILES: [Cu]12([P]34[P]51P3P45)[P]13[P]42P1P34.[Al](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
• Title of publication: Homoleptic Cu-phosphorus and Cu-ethene complexes.
• Authors of publication: Santiso-Quiñones, Gustavo; Reisinger, Andreas; Slattery, John; Krossing, Ingo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 47
• Pages of publication: 5046 - 5048
• a: 11.7609 ± 0.0018 Å
• b: 16.9425 ± 0.0015 Å
• c: 38.266 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7624.8 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0671
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No