Information card for entry 4305472

Structure parameters

• Formula: C57 H52 Au2 Cl3 Fe2 N O2 P4 S4
• Calculated formula: C57 H52 Au2 Cl3 Fe2 N O2 P4 S4
• Title of publication: Unprecedented Formation of Novel Phosphonodithioate Ligands from Diferrocenyldithiadiphosphetane Disulfide
• Authors of publication: Eva M. Barranco; Olga Crespo; M. Concepción Gimeno; Peter G. Jones; Antonio Laguna
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6913 - 6918
• a: 18.0053 ± 0.0016 Å
• b: 20.211 ± 0.0018 Å
• c: 18.2127 ± 0.0016 Å
• α: 90°
• β: 118.366 ± 0.003°
• γ: 90°
• Cell volume: 5831.9 ± 0.9 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 9
• 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: 0.0528
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No