Information card for entry 4320929

Structure parameters

• Formula: C62 H132 Cu3 F7 O9 P6 S2
• Calculated formula: C62 H132 Cu3 F7 O9 P6 S2
• 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: 21.9548 ± 0.0004 Å
• b: 16.7994 ± 0.0001 Å
• c: 23.0086 ± 0.0004 Å
• α: 90°
• β: 109.654 ± 0.001°
• γ: 90°
• Cell volume: 7991.8 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1194
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1673
• Weighted residual factors for all reflections included in the refinement: 0.1842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No