Information card for entry 7027524

Structure parameters

• Formula: C68 H56 Ag B F4 Fe2 P4
• Calculated formula: C68 H56 Ag B F4.01 Fe2 P4
• Title of publication: Synthesis and characterisation of 1-(diphenylphosphino)-1′-(methylsulfanyl)ferrocene and a series of metal (CuI, AgI)‒ferrocenylene complexes
• Authors of publication: Long, Nicholas J.; Martin, Jeff; Opromolla, Giuliana; White, Andrew J. P.; Williams, David J.; Zanello, Piero
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 12
• Pages of publication: 1981
• a: 22.627 ± 0.005 Å
• b: 23.575 ± 0.006 Å
• c: 22.97 ± 0.006 Å
• α: 90°
• β: 100.917 ± 0.011°
• γ: 90°
• Cell volume: 12031 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1494
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections: 0.6861
• Weighted residual factors for significantly intense reflections: 0.197
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.104
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No