Information card for entry 4320931

Structure parameters

• Formula: C44 H96 Cu2 F6 O8 P4 S2
• Calculated formula: C46 H76 Cu2 F6 O6 P4 S2
• SMILES: C(F)(F)(F)S(=O)(=O)[O-].CCOCC.[P]1(C(C)(C)C)(C(C)(C)C)[Cu]2[P](C[P](C(C)(C)C)(C(C)(C)C)[Cu]2[P](C1)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-].CCOCC
• Title of publication: A Trigonal Planar μ3-Fluorido Coinage Metal Complex from a Dicationic (Diphosphinomethane)copper(I) Dimer: Syntheses, Structures, and Bonding
• Authors of publication: Bernd F. Straub; Frank Rominger; Peter Hofmann
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2113 - 2119
• a: 20.2467 ± 0.0001 Å
• b: 41.775 ± 0.0004 Å
• c: 13.6175 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11517.8 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No