Information card for entry 7102330

Structure parameters

• Formula: C66 H36 Al3 Cu3 F108 O12
• Calculated formula: C66 H36 Al3 Cu3 F108 O12
• SMILES: [Cu]123([CH2]=[CH2]1)([CH2]=[CH2]2)[CH2]=[CH2]3.[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: 12.8455 ± 0.0006 Å
• b: 44.862 ± 0.002 Å
• c: 18.9555 ± 0.0009 Å
• α: 90°
• β: 102.506 ± 0.003°
• γ: 90°
• Cell volume: 10664.4 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1529
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No